4-(4-butoxyphenyl)-7,7-dimethyl-2-nonylsulfanyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(4-butoxyphenyl)-7,7-dimethyl-2-nonylsulfanyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-butoxyphenyl)-7,7-dimethyl-2-nonylsulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(4-butoxyphenyl)-7,7-dimethyl-2-(nonylthio)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(4-butoxyphenyl)-7,7-dimethyl-2-nonylsulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-butoxyphenyl)-5-keto-7,7-dimethyl-2-(nonylthio)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C31H44N2O2S MolecularWeight: 508.75826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OCCCC)C#N

Isomeric SMILES

CCCCCCCCCSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OCCCC)C#N

InChI

InChI=1S/C31H44N2O2S/c1-5-7-9-10-11-12-13-19-36-30-25(22-32)28(23-14-16-24(17-15-23)35-18-8-6-2)29-26(33-30)20-31(3,4)21-27(29)34/h14-17,28,33H,5-13,18-21H2,1-4H3