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

Systemtic Name: 2-methyl-3-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]quinazolin-4-one Openeye Name: 2-methyl-3-[(E)-[3-nitro-4-(p-tolylsulfanyl)phenyl]methyleneamino]quinazolin-4-one CAS Name: 2-methyl-3-[(E)-[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylideneamino]-4-quinazolinone IUPAC Name: 2-methyl-3-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]quinazolin-4-one Traditional Name: 2-methyl-3-[(E)-[3-nitro-4-(p-tolylthio)benzylidene]amino]quinazolin-4-one Formula: C23H18N4O3S MolecularWeight: 430.47902

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O3S/c1-15-7-10-18(11-8-15)31-22-12-9-17(13-21(22)27(29)30)14-24-26-16(2)25-20-6-4-3-5-19(20)23(26)28/h3-14H,1-2H3/b24-14+