2-chloranyl-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-methylsulfanyl-quinoline

Systemtic Name: 2-chloranyl-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-methylsulfanyl-quinoline Openeye Name: 2-chloro-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-methylsulfanyl-quinoline CAS Name: 2-chloro-3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-7-(methylthio)quinoline IUPAC Name: 2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-7-methylsulfanylquinoline Traditional Name: 2-chloro-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-(methylthio)quinoline Formula: C16H15ClN4O2S MolecularWeight: 362.8339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(N=C3C=C(C=CC3=C2)SC)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(N=C3C=C(C=CC3=C2)SC)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN4O2S/c1-9-15(21(22)23)10(2)20(19-9)8-12-6-11-4-5-13(24-3)7-14(11)18-16(12)17/h4-7H,8H2,1-3H3