N-[[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: N-[[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[4-(3-chlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-(3-chlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C24H19ClN4O2S MolecularWeight: 462.95126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H19ClN4O2S/c25-19-12-7-13-20(14-19)29-22(15-26-23(31)18-10-5-2-6-11-18)27-28-24(29)32-16-21(30)17-8-3-1-4-9-17/h1-14H,15-16H2,(H,26,31)