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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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