4-[5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(4-methoxy-3-nitrophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(4-methoxy-3-nitro-benzyl)thio]-4-methyl-1,2,4-triazol-3-yl]pyridine Formula: C16H15N5O3S MolecularWeight: 357.387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C16H15N5O3S/c1-20-15(12-5-7-17-8-6-12)18-19-16(20)25-10-11-3-4-14(24-2)13(9-11)21(22)23/h3-9H,10H2,1-2H3