2-azanyl-1-(3-chloranyl-2-methyl-phenyl)-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(3-chloranyl-2-methyl-phenyl)-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-chloro-2-methyl-phenyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(3-chloro-2-methylphenyl)-4-[4-(methylthio)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chloro-2-methylphenyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-chloro-2-methyl-phenyl)-5-keto-4-[4-(methylthio)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C24H22ClN3OS MolecularWeight: 435.96898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)SC)C(=O)CCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)SC)C(=O)CCC3

InChI

InChI=1S/C24H22ClN3OS/c1-14-18(25)5-3-6-19(14)28-20-7-4-8-21(29)23(20)22(17(13-26)24(28)27)15-9-11-16(30-2)12-10-15/h3,5-6,9-12,22H,4,7-8,27H2,1-2H3