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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H15N3O5S2/c1-12(4-5-22(19,20)7-12)14-11(21)13-9-3-2-8(15(17)18)6-10(9)16/h2-3,6,16H,4-5,7H2,1H3,(H2,13,14,21)