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

Systemtic Name: 1-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-3-(4-nitro-2-oxidanyl-phenyl)thiourea Openeye Name: 1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(2-hydroxy-4-nitro-phenyl)thiourea CAS Name: 1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(2-hydroxy-4-nitrophenyl)thiourea IUPAC Name: 1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(2-hydroxy-4-nitrophenyl)thiourea Traditional Name: 1-(1,1-diketo-2,3-dihydrothiophen-3-yl)-3-(2-hydroxy-4-nitro-phenyl)thiourea Formula: C11H11N3O5S2 MolecularWeight: 329.35214

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CS1(=O)=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1C(C=CS1(=O)=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C11H11N3O5S2/c15-10-5-8(14(16)17)1-2-9(10)13-11(20)12-7-3-4-21(18,19)6-7/h1-5,7,15H,6H2,(H2,12,13,20)