3-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]-6-nitro-quinazolin-4-one CAS Name: 3-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-6-nitroquinazolin-4-one Traditional Name: 3-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]-6-nitro-quinazolin-4-one Formula: C19H13ClN4O3S MolecularWeight: 412.84952

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H13ClN4O3S/c1-28-14-4-2-11-6-12(18(20)22-17(11)8-14)9-23-10-21-16-5-3-13(24(26)27)7-15(16)19(23)25/h2-8,10H,9H2,1H3