4-[2,3-bis(chloranyl)phenyl]-2-[4-(4-tert-butylphenyl)-4-oxidanylidene-butyl]sulfanyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

Systemtic Name: 4-[2,3-bis(chloranyl)phenyl]-2-[4-(4-tert-butylphenyl)-4-oxidanylidene-butyl]sulfanyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 2-[4-(4-tert-butylphenyl)-4-oxo-butyl]sulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 2-[[4-(4-tert-butylphenyl)-4-oxobutyl]thio]-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 2-[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 2-[[4-(4-tert-butylphenyl)-4-keto-butyl]thio]-4-(2,3-dichlorophenyl)-5-keto-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Formula: C30H30Cl2N2O2S MolecularWeight: 553.5424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCSC2=C(C(C3=C(N2)CCCC3=O)C4=C(C(=CC=C4)Cl)Cl)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCSC2=C(C(C3=C(N2)CCCC3=O)C4=C(C(=CC=C4)Cl)Cl)C#N

InChI

InChI=1S/C30H30Cl2N2O2S/c1-30(2,3)19-14-12-18(13-15-19)24(35)11-6-16-37-29-21(17-33)26(20-7-4-8-22(31)28(20)32)27-23(34-29)9-5-10-25(27)36/h4,7-8,12-15,26,34H,5-6,9-11,16H2,1-3H3