1-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-3-(4-nitro-2-oxidanyl-phenyl)thiourea

Systemtic Name: 1-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-3-(4-nitro-2-oxidanyl-phenyl)thiourea Openeye Name: 1-[(1,1-dioxothiolan-3-yl)methyl]-3-(2-hydroxy-4-nitro-phenyl)thiourea CAS Name: 1-[(1,1-dioxo-3-thiolanyl)methyl]-3-(2-hydroxy-4-nitrophenyl)thiourea IUPAC Name: 1-[(1,1-dioxothiolan-3-yl)methyl]-3-(2-hydroxy-4-nitrophenyl)thiourea Traditional Name: 1-[(1,1-diketothiolan-3-yl)methyl]-3-(2-hydroxy-4-nitro-phenyl)thiourea Formula: C12H15N3O5S2 MolecularWeight: 345.3946

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CS(=O)(=O)CC1CNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H15N3O5S2/c16-11-5-9(15(17)18)1-2-10(11)14-12(21)13-6-8-3-4-22(19,20)7-8/h1-2,5,8,16H,3-4,6-7H2,(H2,13,14,21)