N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCNC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)CCNC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

InChI

InChI=1S/C23H22N6O2S/c1-31-19-10-5-7-17(15-19)11-14-24-22(30)21-20(16-32-23-25-12-6-13-26-23)29(28-27-21)18-8-3-2-4-9-18/h2-10,12-13,15H,11,14,16H2,1H3,(H,24,30)