5-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-N-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-N-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-N-phenyl-triazole-4-carboxamide CAS Name: 5-(3,4-dimethoxyphenyl)-3-[(methylthio)methyl]-N-phenyl-4-triazolecarboxamide IUPAC Name: 5-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-N-phenyltriazole-4-carboxamide Traditional Name: 5-(3,4-dimethoxyphenyl)-3-[(methylthio)methyl]-N-phenyl-triazole-4-carboxamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c1-25-15-10-9-13(11-16(15)26-2)17-18(23(12-27-3)22-21-17)19(24)20-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,20,24)