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

Systemtic Name: 2-[(4-azanyl-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-isopropylphenyl)acetamide CAS Name: 2-[[4-amino-5-(2-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)thio]-N-p-cumenyl-acetamide Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6OS/c1-13(2)14-7-9-16(10-8-14)23-19(28)12-29-21-26-25-20(27(21)22)18-11-15-5-3-4-6-17(15)24-18/h3-11,13,25H,12,22H2,1-2H3,(H,23,28)