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

Systemtic Name: 2-azanyl-1-(4-bromophenyl)-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromophenyl)-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromophenyl)-4-[5-[[(4-fluorophenyl)thio]methyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromophenyl)-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromophenyl)-4-[5-[[(4-fluorophenyl)thio]methyl]-2,4-dimethyl-phenyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H27BrFN3OS MolecularWeight: 588.532983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)Br)N)C#N)CSC5=CC=C(C=C5)F)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)Br)N)C#N)CSC5=CC=C(C=C5)F)C

InChI

InChI=1S/C31H27BrFN3OS/c1-18-14-19(2)25(15-20(18)17-38-24-12-8-22(33)9-13-24)29-26(16-34)31(35)36(23-10-6-21(32)7-11-23)27-4-3-5-28(37)30(27)29/h6-15,29H,3-5,17,35H2,1-2H3