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

Systemtic Name: 1-phenyl-N-(pyridin-2-ylmethyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-phenyl-N-(2-pyridylmethyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: 1-phenyl-N-(2-pyridinylmethyl)-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: 1-phenyl-N-(pyridin-2-ylmethyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: 1-phenyl-N-(2-pyridylmethyl)-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C20H17N7OS MolecularWeight: 403.46028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CC=N3)CSC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CC=N3)CSC4=NC=CC=N4

InChI

InChI=1S/C20H17N7OS/c28-19(24-13-15-7-4-5-10-21-15)18-17(14-29-20-22-11-6-12-23-20)27(26-25-18)16-8-2-1-3-9-16/h1-12H,13-14H2,(H,24,28)