2-[2-azanyl-4-(2-chloranyl-7-methyl-quinolin-3-yl)-6-thiophen-2-yl-pyridin-3-yl]ethanenitrile

Systemtic Name: 2-[2-azanyl-4-(2-chloranyl-7-methyl-quinolin-3-yl)-6-thiophen-2-yl-pyridin-3-yl]ethanenitrile Openeye Name: 2-[2-amino-4-(2-chloro-7-methyl-3-quinolyl)-6-(2-thienyl)-3-pyridyl]acetonitrile CAS Name: 2-[2-amino-4-(2-chloro-7-methyl-3-quinolinyl)-6-thiophen-2-yl-3-pyridinyl]acetonitrile IUPAC Name: 2-[2-amino-4-(2-chloro-7-methylquinolin-3-yl)-6-thiophen-2-ylpyridin-3-yl]acetonitrile Traditional Name: 2-[2-amino-4-(2-chloro-7-methyl-3-quinolyl)-6-(2-thienyl)-3-pyridyl]acetonitrile Formula: C21H15ClN4S MolecularWeight: 390.8886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C3=CC(=NC(=C3CC#N)N)C4=CC=CS4)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C3=CC(=NC(=C3CC#N)N)C4=CC=CS4)Cl

InChI

InChI=1S/C21H15ClN4S/c1-12-4-5-13-10-16(20(22)25-17(13)9-12)15-11-18(19-3-2-8-27-19)26-21(24)14(15)6-7-23/h2-5,8-11H,6H2,1H3,(H2,24,26)