1-phenyl-5-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-phenyl-5-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide Openeye Name: 1-phenyl-5-(2-thienyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide CAS Name: 1-phenyl-5-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide IUPAC Name: 1-phenyl-5-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide Traditional Name: 1-phenyl-5-(2-thienyl)-N-(3,4,5-trimethoxybenzyl)-1,2,4-triazole-3-carboxamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O4S/c1-29-17-12-15(13-18(30-2)20(17)31-3)14-24-23(28)21-25-22(19-10-7-11-32-19)27(26-21)16-8-5-4-6-9-16/h4-13H,14H2,1-3H3,(H,24,28)