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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6OS/c30-22(24-14-7-11-18-9-3-1-4-10-18)21-20(17-31-23-25-15-8-16-26-23)29(28-27-21)19-12-5-2-6-13-19/h1-6,8-10,12-13,15-16H,7,11,14,17H2,(H,24,30)