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

Systemtic Name: N-[[4-(3,4-dichlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[4-(3,4-dichlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide CAS Name: N-[[4-(3,4-dichlorophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide IUPAC Name: N-[[4-(3,4-dichlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[4-(3,4-dichlorophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Formula: C20H20Cl2N4O2S MolecularWeight: 451.3694

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N4O2S/c1-3-9-29-20-25-24-18(26(20)14-7-8-16(21)17(22)11-14)12-23-19(27)13-5-4-6-15(10-13)28-2/h4-8,10-11H,3,9,12H2,1-2H3,(H,23,27)