4,6-dimethyl-2-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N4O3S/c1-12-8-13(2)21-19(16(12)10-20)27-11-18(24)22-7-3-4-14-9-15(23(25)26)5-6-17(14)22/h5-6,8-9H,3-4,7,11H2,1-2H3