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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(2-methoxyphenyl)methyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-[(2-methoxyphenyl)methyl]-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-o-anisyl-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

InChI

InChI=1S/C22H20N6O2S/c1-30-19-11-6-5-8-16(19)14-25-21(29)20-18(15-31-22-23-12-7-13-24-22)28(27-26-20)17-9-3-2-4-10-17/h2-13H,14-15H2,1H3,(H,25,29)