1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(5-nitro-2-oxidanyl-phenyl)thiourea

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(5-nitro-2-oxidanyl-phenyl)thiourea Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-hydroxy-5-nitro-phenyl)thiourea CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-3-(2-hydroxy-5-nitrophenyl)thiourea IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-hydroxy-5-nitrophenyl)thiourea Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-3-(2-hydroxy-5-nitro-phenyl)thiourea Formula: C11H13N3O5S2 MolecularWeight: 331.36802

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C11H13N3O5S2/c15-10-2-1-8(14(16)17)5-9(10)13-11(20)12-7-3-4-21(18,19)6-7/h1-2,5,7,15H,3-4,6H2,(H2,12,13,20)/t7-/m0/s1