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

Systemtic Name: N-[[4-(3-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[4-(3-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide CAS Name: N-[[4-(3-chlorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide IUPAC Name: N-[[4-(3-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[4-(3-chlorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O2S/c1-25-15-8-3-5-12(9-15)17(24)20-11-16-21-22-18(26-2)23(16)14-7-4-6-13(19)10-14/h3-10H,11H2,1-2H3,(H,20,24)