7-chloranyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-2-[(2-methoxy-5-nitrophenyl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[(2-methoxy-5-nitro-benzyl)thio]quinazolin-4-one Formula: C19H16ClN3O4S MolecularWeight: 417.86604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C19H16ClN3O4S/c1-3-8-22-18(24)15-6-4-13(20)10-16(15)21-19(22)28-11-12-9-14(23(25)26)5-7-17(12)27-2/h3-7,9-10H,1,8,11H2,2H3