2-[2,3-bis(oxidanyl)propylsulfanyl]-3-(2-nitrophenyl)quinazolin-4-one

Systemtic Name: 2-[2,3-bis(oxidanyl)propylsulfanyl]-3-(2-nitrophenyl)quinazolin-4-one Openeye Name: 2-(2,3-dihydroxypropylsulfanyl)-3-(2-nitrophenyl)quinazolin-4-one CAS Name: 2-(2,3-dihydroxypropylthio)-3-(2-nitrophenyl)-4-quinazolinone IUPAC Name: 2-(2,3-dihydroxypropylsulfanyl)-3-(2-nitrophenyl)quinazolin-4-one Traditional Name: 2-(glycerylthio)-3-(2-nitrophenyl)quinazolin-4-one Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(CO)O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(CO)O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5S/c21-9-11(22)10-26-17-18-13-6-2-1-5-12(13)16(23)19(17)14-7-3-4-8-15(14)20(24)25/h1-8,11,21-22H,9-10H2