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

Systemtic Name: 1-(2,4-dinitrophenyl)-3-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]thiourea Openeye Name: 1-(2,4-dinitrophenyl)-3-(3-methyl-1,1-dioxo-thiolan-3-yl)thiourea CAS Name: 1-(2,4-dinitrophenyl)-3-(3-methyl-1,1-dioxo-3-thiolanyl)thiourea IUPAC Name: 1-(2,4-dinitrophenyl)-3-(3-methyl-1,1-dioxothiolan-3-yl)thiourea Traditional Name: 1-(1,1-diketo-3-methyl-thiolan-3-yl)-3-(2,4-dinitrophenyl)thiourea Formula: C12H14N4O6S2 MolecularWeight: 374.39276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O6S2/c1-12(4-5-24(21,22)7-12)14-11(23)13-9-3-2-8(15(17)18)6-10(9)16(19)20/h2-3,6H,4-5,7H2,1H3,(H2,13,14,23)