6-methyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 6-methyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-methyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-methyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-methyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H17N3O3S/c1-12-2-7-17-14(8-12)9-15(10-20)19(21-17)26-11-18(23)13-3-5-16(6-4-13)22(24)25/h3-6,9,12H,2,7-8,11H2,1H3