2-azanyl-4-(5-methyl-2-methylsulfanyl-thiophen-3-yl)-5-oxidanylidene-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-methyl-2-methylsulfanyl-thiophen-3-yl)-5-oxidanylidene-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-methyl-2-methylsulfanyl-3-thienyl)-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[5-methyl-2-(methylthio)-3-thiophenyl]-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-4-[5-methyl-2-(methylthio)-3-thienyl]-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)SC)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4)N)C#N

Isomeric SMILES

CC1=CC(=C(S1)SC)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4)N)C#N

InChI

InChI=1S/C22H21N3OS2/c1-13-11-15(22(27-2)28-13)19-16(12-23)21(24)25(14-7-4-3-5-8-14)17-9-6-10-18(26)20(17)19/h3-5,7-8,11,19H,6,9-10,24H2,1-2H3