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

Systemtic Name: 1-phenyl-N-(4-propan-2-ylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-isopropylphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: 1-phenyl-N-(4-propan-2-ylphenyl)-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: 1-phenyl-N-(4-propan-2-ylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-p-cumenyl-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6OS/c1-16(2)17-9-11-18(12-10-17)26-22(30)21-20(15-31-23-24-13-6-14-25-23)29(28-27-21)19-7-4-3-5-8-19/h3-14,16H,15H2,1-2H3,(H,26,30)