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

Systemtic Name: 2-[4-(4-tert-butylphenyl)-4-oxidanylidene-butyl]sulfanyl-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 4-(4-benzyloxyphenyl)-2-[4-(4-tert-butylphenyl)-4-oxo-butyl]sulfanyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 2-[[4-(4-tert-butylphenyl)-4-oxobutyl]thio]-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 2-[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 4-(4-benzoxyphenyl)-2-[[4-(4-tert-butylphenyl)-4-keto-butyl]thio]-5-keto-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Formula: C37H38N2O3S MolecularWeight: 590.77422

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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=CC=C(C=C4)OCC5=CC=CC=C5)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N

InChI

InChI=1S/C37H38N2O3S/c1-37(2,3)28-18-14-26(15-19-28)32(40)13-8-22-43-36-30(23-38)34(35-31(39-36)11-7-12-33(35)41)27-16-20-29(21-17-27)42-24-25-9-5-4-6-10-25/h4-6,9-10,14-21,34,39H,7-8,11-13,22,24H2,1-3H3