7-ethoxy-4-(4-methylpyrimidin-2-yl)sulfanyl-6-nitro-2-phenylazanyl-quinoline-3-carbonitrile

Systemtic Name: 7-ethoxy-4-(4-methylpyrimidin-2-yl)sulfanyl-6-nitro-2-phenylazanyl-quinoline-3-carbonitrile Openeye Name: 2-anilino-7-ethoxy-4-(4-methylpyrimidin-2-yl)sulfanyl-6-nitro-quinoline-3-carbonitrile CAS Name: 2-anilino-7-ethoxy-4-[(4-methyl-2-pyrimidinyl)thio]-6-nitro-3-quinolinecarbonitrile IUPAC Name: 2-anilino-7-ethoxy-4-(4-methylpyrimidin-2-yl)sulfanyl-6-nitroquinoline-3-carbonitrile Traditional Name: 2-anilino-7-ethoxy-4-[(4-methylpyrimidin-2-yl)thio]-6-nitro-quinoline-3-carbonitrile Formula: C23H18N6O3S MolecularWeight: 458.49242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=C(C(=C2SC3=NC=CC(=N3)C)C#N)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=C(C(=C2SC3=NC=CC(=N3)C)C#N)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N6O3S/c1-3-32-20-12-18-16(11-19(20)29(30)31)21(33-23-25-10-9-14(2)26-23)17(13-24)22(28-18)27-15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,27,28)