7-ethoxy-4-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylazanyl-quinoline-3-carbonitrile

Systemtic Name: 7-ethoxy-4-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylazanyl-quinoline-3-carbonitrile Openeye Name: 2-anilino-7-ethoxy-4-(4-methylpyrimidin-2-yl)sulfanyl-quinoline-3-carbonitrile CAS Name: 2-anilino-7-ethoxy-4-[(4-methyl-2-pyrimidinyl)thio]-3-quinolinecarbonitrile IUPAC Name: 2-anilino-7-ethoxy-4-(4-methylpyrimidin-2-yl)sulfanylquinoline-3-carbonitrile Traditional Name: 2-anilino-7-ethoxy-4-[(4-methylpyrimidin-2-yl)thio]quinoline-3-carbonitrile Formula: C23H19N5OS MolecularWeight: 413.49486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=C(C(=N2)NC3=CC=CC=C3)C#N)SC4=NC=CC(=N4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=C(C(=N2)NC3=CC=CC=C3)C#N)SC4=NC=CC(=N4)C

InChI

InChI=1S/C23H19N5OS/c1-3-29-17-9-10-18-20(13-17)28-22(27-16-7-5-4-6-8-16)19(14-24)21(18)30-23-25-12-11-15(2)26-23/h4-13H,3H2,1-2H3,(H,27,28)