2-[(4-azanyl-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(2-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)thio]-N-(3-methoxyphenyl)acetamide Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NNC(=C3C=C4C=CC=CC4=N3)N2N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NNC(=C3C=C4C=CC=CC4=N3)N2N

InChI

InChI=1S/C19H18N6O2S/c1-27-14-7-4-6-13(10-14)21-17(26)11-28-19-24-23-18(25(19)20)16-9-12-5-2-3-8-15(12)22-16/h2-10,23H,11,20H2,1H3,(H,21,26)