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

Systemtic Name: 2-methyl-4-[3-[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]-1H-1,2,4-triazol-5-yl]pyridine Openeye Name: 4-[3-(4-isobutylsulfanyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]-2-methyl-pyridine CAS Name: 2-methyl-4-[3-[4-(2-methylpropylthio)-3-nitrophenyl]-1H-1,2,4-triazol-5-yl]pyridine IUPAC Name: 2-methyl-4-[3-[4-(2-methylpropylsulfanyl)-3-nitrophenyl]-1H-1,2,4-triazol-5-yl]pyridine Traditional Name: 4-[3-[4-(isobutylthio)-3-nitro-phenyl]-1H-1,2,4-triazol-5-yl]-2-methyl-pyridine Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2S/c1-11(2)10-26-16-5-4-13(9-15(16)23(24)25)17-20-18(22-21-17)14-6-7-19-12(3)8-14/h4-9,11H,10H2,1-3H3,(H,20,21,22)