2-azanyl-4-[2,5-dimethyl-3-[(phenylmethylsulfanyl)methyl]phenyl]-5-oxidanylidene-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[2,5-dimethyl-3-[(phenylmethylsulfanyl)methyl]phenyl]-5-oxidanylidene-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-(benzylsulfanylmethyl)-2,5-dimethyl-phenyl]-5-oxo-1-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[2,5-dimethyl-3-[(phenylmethylthio)methyl]phenyl]-5-oxo-1-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-(benzylsulfanylmethyl)-2,5-dimethylphenyl]-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(benzylthio)methyl]-2,5-dimethyl-phenyl]-5-keto-1-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H30N4OS MolecularWeight: 506.6611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N)C)CSCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N)C)CSCC5=CC=CC=C5

InChI

InChI=1S/C31H30N4OS/c1-20-14-23(19-37-18-22-8-4-3-5-9-22)21(2)25(15-20)29-26(16-32)31(33)35(24-10-7-13-34-17-24)27-11-6-12-28(36)30(27)29/h3-5,7-10,13-15,17,29H,6,11-12,18-19,33H2,1-2H3