2-methylsulfanyl-7-(3-nitrophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 2-methylsulfanyl-7-(3-nitrophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 2-methylsulfanyl-7-(3-nitrophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 2-(methylthio)-7-(3-nitrophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 2-methylsulfanyl-7-(3-nitrophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 2-(methylthio)-7-(3-nitrophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C18H13N5O2S MolecularWeight: 363.39312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN2C(=CC(=NC2=N1)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN2C(=CC(=NC2=N1)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O2S/c1-26-18-20-17-19-15(12-6-3-2-4-7-12)11-16(22(17)21-18)13-8-5-9-14(10-13)23(24)25/h2-11H,1H3