7-methoxy-6-nitro-4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]-2-phenylazanyl-quinoline-3-carbonitrile

Systemtic Name: 7-methoxy-6-nitro-4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]-2-phenylazanyl-quinoline-3-carbonitrile Openeye Name: 2-anilino-7-methoxy-6-nitro-4-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]quinoline-3-carbonitrile CAS Name: 2-anilino-7-methoxy-6-nitro-4-[(4-oxo-1H-quinazolin-2-yl)thio]-3-quinolinecarbonitrile IUPAC Name: 2-anilino-7-methoxy-6-nitro-4-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]quinoline-3-carbonitrile Traditional Name: 2-anilino-4-[(4-keto-1H-quinazolin-2-yl)thio]-7-methoxy-6-nitro-quinoline-3-carbonitrile Formula: C25H16N6O4S MolecularWeight: 496.49734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(C(=C2SC3=NC(=O)C4=CC=CC=C4N3)C#N)NC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(C(=C2SC3=NC(=O)C4=CC=CC=C4N3)C#N)NC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H16N6O4S/c1-35-21-12-19-16(11-20(21)31(33)34)22(17(13-26)23(28-19)27-14-7-3-2-4-8-14)36-25-29-18-10-6-5-9-15(18)24(32)30-25/h2-12H,1H3,(H,27,28)(H,29,30,32)