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

Systemtic Name: 1-phenyl-N-(phenylmethyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-benzyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: 1-phenyl-N-(phenylmethyl)-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-benzyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-benzyl-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6OS/c28-20(24-14-16-8-3-1-4-9-16)19-18(15-29-21-22-12-7-13-23-21)27(26-25-19)17-10-5-2-6-11-17/h1-13H,14-15H2,(H,24,28)