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

Systemtic Name: 2-azanyl-4-(5-methyl-2-methylsulfanyl-thiophen-3-yl)-5-oxidanylidene-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-methyl-2-methylsulfanyl-3-thienyl)-5-oxo-1-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[5-methyl-2-(methylthio)-3-thiophenyl]-5-oxo-1-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-4-[5-methyl-2-(methylthio)-3-thienyl]-1-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H20N4OS2 MolecularWeight: 408.5397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS2/c1-12-9-14(21(27-2)28-12)18-15(10-22)20(23)25(13-5-4-8-24-11-13)16-6-3-7-17(26)19(16)18/h4-5,8-9,11,18H,3,6-7,23H2,1-2H3