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

Systemtic Name: N-[[4-(3,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[4-(3,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide CAS Name: N-[[4-(3,4-dichlorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide IUPAC Name: N-[[4-(3,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[4-(3,4-dichlorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Formula: C18H16Cl2N4O2S MolecularWeight: 423.31624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SC

InChI

InChI=1S/C18H16Cl2N4O2S/c1-26-13-5-3-4-11(8-13)17(25)21-10-16-22-23-18(27-2)24(16)12-6-7-14(19)15(20)9-12/h3-9H,10H2,1-2H3,(H,21,25)