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

Systemtic Name: 2-[(5-indol-2-ylidene-4-pyrrol-1-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(5-indol-2-ylidene-4-pyrrol-1-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(2-indolylidene)-4-(1-pyrrolyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[(5-indol-2-ylidene-4-pyrrol-1-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(5-indol-2-ylidene-4-pyrrol-1-yl-1H-1,2,4-triazol-3-yl)thio]-N-phenyl-acetamide Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NNC(=C3C=C4C=CC=CC4=N3)N2N5C=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NNC(=C3C=C4C=CC=CC4=N3)N2N5C=CC=C5

InChI

InChI=1S/C22H18N6OS/c29-20(23-17-9-2-1-3-10-17)15-30-22-26-25-21(28(22)27-12-6-7-13-27)19-14-16-8-4-5-11-18(16)24-19/h1-14,25H,15H2,(H,23,29)