2,3-dimethyl-5-nitro-7-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 2,3-dimethyl-5-nitro-7-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 7-benzylsulfanyl-2,3-dimethyl-5-nitro-quinazolin-4-one CAS Name: 2,3-dimethyl-5-nitro-7-(phenylmethylthio)-4-quinazolinone IUPAC Name: 7-benzylsulfanyl-2,3-dimethyl-5-nitroquinazolin-4-one Traditional Name: 7-(benzylthio)-2,3-dimethyl-5-nitro-quinazolin-4-one Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=CC(=C2C(=O)N1C)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=CC(=CC(=C2C(=O)N1C)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O3S/c1-11-18-14-8-13(24-10-12-6-4-3-5-7-12)9-15(20(22)23)16(14)17(21)19(11)2/h3-9H,10H2,1-2H3