2-[(4-azanyl-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[4-amino-5-(2-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)thio]-N-mesityl-acetamide Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NNC(=C3C=C4C=CC=CC4=N3)N2N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NNC(=C3C=C4C=CC=CC4=N3)N2N)C

InChI

InChI=1S/C21H22N6OS/c1-12-8-13(2)19(14(3)9-12)24-18(28)11-29-21-26-25-20(27(21)22)17-10-15-6-4-5-7-16(15)23-17/h4-10,25H,11,22H2,1-3H3,(H,24,28)