(Q27187478)

MLS000565888 (English)

10 October 2016

chemical formula

C₂₀H₁₈N₄O₃S₃

1 reference

MLS000565888 (English)

10 October 2016

canonical SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)CSC3=NC4=CC=CC=C4S3

1 reference

MLS000565888 (English)

InChI=1S/C20H18N4O3S3/c1-2-24-18(11-29-20-21-13-5-3-4-6-17(13)30-20)22-23-19(24)28-10-16(27)12-7-8-14(25)15(26)9-12/h3-9,25-26H,2,10-11H2,1H3

10 October 2016

Identifiers

InChI

1 reference

MLS000565888 (English)

APBXJKZUYAAVJS-UHFFFAOYSA-N

10 October 2016

InChIKey

2 references

MLS000565888 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-({5-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,4-dihydroxyphenyl)ethanone (English)

10 October 2016

2 references

MLS000565888 (English)

matched by identifier from

10 October 2016

InChIKey

APBXJKZUYAAVJS-UHFFFAOYSA-N

ChEBI ID

108554

mapping relation type

2 references

2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone (English)

matched by identifier from

10 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H18N4O3S3/c1-2-24-18(11-29-20-21-13-5-3-4-6-17(13)30-20)22-23-19(24)28-10-16(27)12-7-8-14(25)15(26)9-12/h3-9,25-26H,2,10-11H2,1H3

1 reference