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

Systemtic Name: N-[[4-(3,4-dichlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-(3,4-dichlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[4-(3,4-dichlorophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[4-(3,4-dichlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-(3,4-dichlorophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C19H18Cl2N4OS MolecularWeight: 421.34342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18Cl2N4OS/c1-2-10-27-19-24-23-17(12-22-18(26)13-6-4-3-5-7-13)25(19)14-8-9-15(20)16(21)11-14/h3-9,11H,2,10,12H2,1H3,(H,22,26)