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

Systemtic Name: N-[[4-(3-chlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-(3-chlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[4-(3-chlorophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[4-(3-chlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-(3-chlorophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC(=CC=C2)Cl)CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC(=CC=C2)Cl)CNC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H21ClN4OS/c1-3-10-27-20-24-23-18(25(20)17-9-5-8-16(21)12-17)13-22-19(26)15-7-4-6-14(2)11-15/h4-9,11-12H,3,10,13H2,1-2H3,(H,22,26)