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

Systemtic Name: 3-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylideneamino]quinazolin-4-one Openeye Name: 3-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyleneamino]quinazolin-4-one CAS Name: 3-[(E)-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylideneamino]-4-quinazolinone IUPAC Name: 3-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]quinazolin-4-one Traditional Name: 3-[(E)-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]amino]quinazolin-4-one Formula: C21H13ClN4O3S MolecularWeight: 436.87092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)N=CC3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)/N=C/C3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN4O3S/c22-15-6-8-16(9-7-15)30-20-10-5-14(11-19(20)26(28)29)12-24-25-13-23-18-4-2-1-3-17(18)21(25)27/h1-13H/b24-12+