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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCSC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCSC)[N+](=O)[O-]

InChI

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