2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[(2-methyl-3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[(2-methyl-3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[(2-methyl-3-nitro-benzyl)thio]quinazolin-4-one Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C19H19N3O4S/c1-13-14(6-4-9-17(13)22(25)26)12-27-19-20-16-8-3-2-7-15(16)18(24)21(19)10-5-11-23/h2-4,6-9,23H,5,10-12H2,1H3