N-[[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxy-ethanamide Openeye Name: N-[[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxy-acetamide CAS Name: N-[[4-(4-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide Traditional Name: N-[[5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxy-acetamide Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CNC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CNC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C24H21N5O4S/c30-23(16-33-21-9-5-2-6-10-21)25-15-22-26-27-24(34-17-18-7-3-1-4-8-18)28(22)19-11-13-20(14-12-19)29(31)32/h1-14H,15-17H2,(H,25,30)