3-[7-methyl-2-(3-methylimidazol-4-yl)-4-(2-thiomorpholin-4-ylethyl)quinolin-6-yl]propanenitrile

Systemtic Name: 3-[7-methyl-2-(3-methylimidazol-4-yl)-4-(2-thiomorpholin-4-ylethyl)quinolin-6-yl]propanenitrile Openeye Name: 3-[7-methyl-2-(3-methylimidazol-4-yl)-4-(2-thiomorpholinoethyl)-6-quinolyl]propanenitrile CAS Name: 3-[7-methyl-2-(3-methyl-4-imidazolyl)-4-(2-thiomorpholin-4-ylethyl)-6-quinolinyl]propanenitrile IUPAC Name: 3-[7-methyl-2-(3-methylimidazol-4-yl)-4-(2-thiomorpholin-4-ylethyl)quinolin-6-yl]propanenitrile Traditional Name: 3-[7-methyl-2-(3-methylimidazol-4-yl)-4-(2-thiomorpholinoethyl)-6-quinolyl]propionitrile Formula: C23H27N5S MolecularWeight: 405.55898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=NC2=C1)C3=CN=CN3C)CCN4CCSCC4)CCC#N

Isomeric SMILES

CC1=C(C=C2C(=CC(=NC2=C1)C3=CN=CN3C)CCN4CCSCC4)CCC#N

InChI

InChI=1S/C23H27N5S/c1-17-12-21-20(13-18(17)4-3-6-24)19(5-7-28-8-10-29-11-9-28)14-22(26-21)23-15-25-16-27(23)2/h12-16H,3-5,7-11H2,1-2H3