2-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methylamino]-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methylamino]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-N-phenyl-2-[[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methylamino]acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methylamino]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methylamino]-N-phenyl-N-propan-2-ylacetamide Traditional Name: N-isopropyl-N-phenyl-2-[[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methylamino]acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)CNCC(=O)N(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)CNCC(=O)N(C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H25N5OS/c1-15(2)25(17-7-5-4-6-8-17)20(27)14-22-13-19-23-24-21(28)26(19)18-11-9-16(3)10-12-18/h4-12,15,22H,13-14H2,1-3H3,(H,24,28)