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

Systemtic Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-(3,3,5-trimethylcyclohexyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-(3,3,5-trimethylcyclohexyl)triazole-4-carboxamide CAS Name: 1-phenyl-5-[(2-pyrimidinylthio)methyl]-N-(3,3,5-trimethylcyclohexyl)-4-triazolecarboxamide IUPAC Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-(3,3,5-trimethylcyclohexyl)triazole-4-carboxamide Traditional Name: 1-phenyl-5-[(2-pyrimidylthio)methyl]-N-(3,3,5-trimethylcyclohexyl)triazole-4-carboxamide Formula: C23H28N6OS MolecularWeight: 436.57302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

Isomeric SMILES

CC1CC(CC(C1)(C)C)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

InChI

InChI=1S/C23H28N6OS/c1-16-12-17(14-23(2,3)13-16)26-21(30)20-19(15-31-22-24-10-7-11-25-22)29(28-27-20)18-8-5-4-6-9-18/h4-11,16-17H,12-15H2,1-3H3,(H,26,30)