2-azanyl-1-(3-chlorophenyl)-4-[3-[(4-chlorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(3-chlorophenyl)-4-[3-[(4-chlorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-chlorophenyl)-4-[3-[(4-chlorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(3-chlorophenyl)-4-[3-[[(4-chlorophenyl)thio]methyl]-2,5-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chlorophenyl)-4-[3-[(4-chlorophenyl)sulfanylmethyl]-2,5-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-chlorophenyl)-4-[3-[[(4-chlorophenyl)thio]methyl]-2,5-dimethyl-phenyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H27Cl2N3OS MolecularWeight: 560.53658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)Cl)N)C#N)C)CSC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)Cl)N)C#N)C)CSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H27Cl2N3OS/c1-18-13-20(17-38-24-11-9-21(32)10-12-24)19(2)25(14-18)29-26(16-34)31(35)36(23-6-3-5-22(33)15-23)27-7-4-8-28(37)30(27)29/h3,5-6,9-15,29H,4,7-8,17,35H2,1-2H3