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

Systemtic Name: N-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-(methylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-[(methylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide Traditional Name: 5-(4-methoxyphenyl)-3-[(methylthio)methyl]-N-p-phenetyl-triazole-4-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(N=NN2CSC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(N=NN2CSC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N4O3S/c1-4-27-17-11-7-15(8-12-17)21-20(25)19-18(22-23-24(19)13-28-3)14-5-9-16(26-2)10-6-14/h5-12H,4,13H2,1-3H3,(H,21,25)