2-hexylsulfanyl-4-(4-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

Systemtic Name: 2-hexylsulfanyl-4-(4-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 2-hexylsulfanyl-5-oxo-4-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 2-(hexylthio)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 2-hexylsulfanyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 2-(hexylthio)-5-keto-4-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCCCCCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C23H28N2OS/c1-3-4-5-6-14-27-23-18(15-24)21(17-12-10-16(2)11-13-17)22-19(25-23)8-7-9-20(22)26/h10-13,21,25H,3-9,14H2,1-2H3