4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-2-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

Systemtic Name: 4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-2-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 4-(4-oxo-1-cyclohexa-2,5-dienylidene)-2-(phenylmethylthio)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-4-(4-ketocyclohexa-2,5-dien-1-ylidene)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Formula: C23H20N2OS MolecularWeight: 372.4827

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C3C=CC(=O)C=C3)C(=C(N2)SCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C3C=CC(=O)C=C3)C(=C(N2)SCC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H20N2OS/c24-14-20-22(17-10-12-18(26)13-11-17)19-8-4-5-9-21(19)25-23(20)27-15-16-6-2-1-3-7-16/h1-3,6-7,10-13,25H,4-5,8-9,15H2