3-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-nitrophenyl)quinazolin-4-one

Systemtic Name: 3-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-nitrophenyl)quinazolin-4-one Openeye Name: 3-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-nitrophenyl)quinazolin-4-one CAS Name: 3-[(3S)-1,1-dioxo-3-thiolanyl]-2-(4-nitrophenyl)-4-quinazolinone IUPAC Name: 3-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-nitrophenyl)quinazolin-4-one Traditional Name: 3-[(3S)-1,1-diketothiolan-3-yl]-2-(4-nitrophenyl)quinazolin-4-one Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c22-18-15-3-1-2-4-16(15)19-17(12-5-7-13(8-6-12)21(23)24)20(18)14-9-10-27(25,26)11-14/h1-8,14H,9-11H2/t14-/m0/s1