N-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(methylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(methylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-[(methylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-[(methylthio)methyl]triazole-4-carboxamide Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(N=N2)CSC)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(N=N2)CSC)C(=O)NC3=CC=C(C=C3)Cl

InChI

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