2-azanyl-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-7,7-dimethyl-1-(2-methyl-5-nitro-phenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-7,7-dimethyl-1-(2-methyl-5-nitro-phenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-7,7-dimethyl-1-(2-methyl-5-nitro-phenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-4-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-7,7-dimethyl-1-(2-methyl-5-nitro-phenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C32H31N5O4S MolecularWeight: 581.68464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4)OC)CSC5=CC=CC=N5)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4)OC)CSC5=CC=CC=N5)C(=O)CC(C3)(C)C

InChI

InChI=1S/C32H31N5O4S/c1-19-8-10-22(37(39)40)14-24(19)36-25-15-32(2,3)16-26(38)30(25)29(23(17-33)31(36)34)20-9-11-27(41-4)21(13-20)18-42-28-7-5-6-12-35-28/h5-14,29H,15-16,18,34H2,1-4H3