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

Systemtic Name: 3-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-2-methyl-quinazolin-4-one Openeye Name: 3-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyleneamino]-2-methyl-quinazolin-4-one CAS Name: 3-[(E)-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylideneamino]-2-methyl-4-quinazolinone IUPAC Name: 3-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-2-methylquinazolin-4-one Traditional Name: 3-[(E)-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]amino]-2-methyl-quinazolin-4-one Formula: C22H15ClN4O3S MolecularWeight: 450.8975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1/N=C/C3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H15ClN4O3S/c1-14-25-19-5-3-2-4-18(19)22(28)26(14)24-13-15-6-11-21(20(12-15)27(29)30)31-17-9-7-16(23)8-10-17/h2-13H,1H3/b24-13+