2-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]thio]quinazolin-4-one Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-13-7-8-14(11-17(13)23(27)28)18(25)12-29-20-21-16-6-3-2-5-15(16)19(26)22(20)9-4-10-24/h2-3,5-8,11,24H,4,9-10,12H2,1H3