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

Systemtic Name: 1-phenyl-N-(1-phenylethyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-phenyl-N-(1-phenylethyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: 1-phenyl-N-(1-phenylethyl)-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: 1-phenyl-N-(1-phenylethyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: 1-phenyl-N-(1-phenylethyl)-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6OS/c1-16(17-9-4-2-5-10-17)25-21(29)20-19(15-30-22-23-13-8-14-24-22)28(27-26-20)18-11-6-3-7-12-18/h2-14,16H,15H2,1H3,(H,25,29)