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

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-5-oxidanylidene-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-5-oxo-1-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-ethyl-2-thiophenyl)-5-oxo-1-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-5-keto-1-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H19BrN4OS MolecularWeight: 455.37076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N)Br

Isomeric SMILES

CCC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N)Br

InChI

InChI=1S/C21H19BrN4OS/c1-2-17-14(22)9-18(28-17)19-13(10-23)21(24)26(12-5-4-8-25-11-12)15-6-3-7-16(27)20(15)19/h4-5,8-9,11,19H,2-3,6-7,24H2,1H3