2-[[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-(4-nitrophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-(4-nitrophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O3S/c1-16-7-11-19(12-8-16)27-22(17-9-13-20(14-10-17)28(30)31)25-26-23(27)32-15-21(29)24-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,24,29)