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

Systemtic Name: 4-[[3-chloranyl-4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]phenyl]amino]-7-methoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]anilino]-7-methoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(4-oxo-1H-quinazolin-2-yl)thio]anilino]-7-methoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]anilino]-7-methoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(4-keto-1H-quinazolin-2-yl)thio]anilino]-7-methoxy-6-nitro-quinoline-3-carbonitrile Formula: C25H15ClN6O4S MolecularWeight: 530.9424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC(=O)C5=CC=CC=C5N4)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC(=O)C5=CC=CC=C5N4)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C25H15ClN6O4S/c1-36-21-10-19-16(9-20(21)32(34)35)23(13(11-27)12-28-19)29-14-6-7-22(17(26)8-14)37-25-30-18-5-3-2-4-15(18)24(33)31-25/h2-10,12H,1H3,(H,28,29)(H,30,31,33)