4-(4-tert-butylphenyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-tert-butylphenyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-tert-butylphenyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(4-tert-butylphenyl)-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(4-tert-butylphenyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(4-tert-butylphenyl)-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-6-phenyl-nicotinonitrile Formula: C33H31N3OS MolecularWeight: 517.68374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3CCCC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3CCCC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C33H31N3OS/c1-33(2,3)26-17-15-23(16-18-26)27-20-29(24-10-5-4-6-11-24)35-32(28(27)21-34)38-22-31(37)36-19-9-13-25-12-7-8-14-30(25)36/h4-8,10-12,14-18,20H,9,13,19,22H2,1-3H3