N-(4-ethanoylphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(4-ethanoylphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-acetylphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(4-acetylphenyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(4-acetylphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(4-acetylphenyl)-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C22H18N6O2S MolecularWeight: 430.48232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6O2S/c1-15(29)16-8-10-17(11-9-16)25-21(30)20-19(14-31-22-23-12-5-13-24-22)28(27-26-20)18-6-3-2-4-7-18/h2-13H,14H2,1H3,(H,25,30)