3-[[3-(benzimidazol-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]indol-2-one

Systemtic Name: 3-[[3-(benzimidazol-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]indol-2-one Openeye Name: 3-[[3-(benzimidazol-1-ylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]indol-2-one CAS Name: 3-[[3-(1-benzimidazolylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]-2-indolone IUPAC Name: 3-[[3-(benzimidazol-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]indol-2-one Traditional Name: 3-[[3-(benzimidazol-1-ylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]indol-2-one Formula: C18H13N7OS MolecularWeight: 375.40712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CC3=NNC(=S)N3NC4=C5C=CC=CC5=NC4=O

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CC3=NNC(=S)N3NC4=C5C=CC=CC5=NC4=O

InChI

InChI=1S/C18H13N7OS/c26-17-16(11-5-1-2-6-12(11)20-17)23-25-15(21-22-18(25)27)9-24-10-19-13-7-3-4-8-14(13)24/h1-8,10H,9H2,(H,22,27)(H,20,23,26)