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

Systemtic Name: N-[[4-(3,4-dichlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-(3,4-dichlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[4-(3,4-dichlorophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[4-(3,4-dichlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-(3,4-dichlorophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C20H20Cl2N4OS MolecularWeight: 435.37

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N4OS/c1-3-9-28-20-25-24-18(26(20)15-7-8-16(21)17(22)11-15)12-23-19(27)14-6-4-5-13(2)10-14/h4-8,10-11H,3,9,12H2,1-2H3,(H,23,27)