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

Systemtic Name: N-(4-ethoxyphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-ethoxyphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(4-ethoxyphenyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: 1-phenyl-N-p-phenetyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C22H20N6O2S MolecularWeight: 432.4982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

InChI

InChI=1S/C22H20N6O2S/c1-2-30-18-11-9-16(10-12-18)25-21(29)20-19(15-31-22-23-13-6-14-24-22)28(27-26-20)17-7-4-3-5-8-17/h3-14H,2,15H2,1H3,(H,25,29)