3-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]quinazolin-4-one

Systemtic Name: 3-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]quinazolin-4-one Openeye Name: 3-[(E)-[3-nitro-4-(p-tolylsulfanyl)phenyl]methyleneamino]quinazolin-4-one CAS Name: 3-[(E)-[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylideneamino]-4-quinazolinone IUPAC Name: 3-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]quinazolin-4-one Traditional Name: 3-[(E)-[3-nitro-4-(p-tolylthio)benzylidene]amino]quinazolin-4-one Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NN3C=NC4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/N3C=NC4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O3S/c1-15-6-9-17(10-7-15)30-21-11-8-16(12-20(21)26(28)29)13-24-25-14-23-19-5-3-2-4-18(19)22(25)27/h2-14H,1H3/b24-13+