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

Systemtic Name: 1-[4-chloranyl-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(4-nitro-2-oxidanyl-phenyl)thiourea Openeye Name: 1-(4-chloro-1,1-dioxo-thiolan-3-yl)-3-(2-hydroxy-4-nitro-phenyl)thiourea CAS Name: 1-(4-chloro-1,1-dioxo-3-thiolanyl)-3-(2-hydroxy-4-nitrophenyl)thiourea IUPAC Name: 1-(4-chloro-1,1-dioxothiolan-3-yl)-3-(2-hydroxy-4-nitrophenyl)thiourea Traditional Name: 1-(4-chloro-1,1-diketo-thiolan-3-yl)-3-(2-hydroxy-4-nitro-phenyl)thiourea Formula: C11H12ClN3O5S2 MolecularWeight: 365.81308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClN3O5S2/c12-7-4-22(19,20)5-9(7)14-11(21)13-8-2-1-6(15(17)18)3-10(8)16/h1-3,7,9,16H,4-5H2,(H2,13,14,21)