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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2,4-dinitrophenyl)thiourea Openeye Name: 1-(2,4-dinitrophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea CAS Name: 1-(2,4-dinitrophenyl)-3-(1,1-dioxo-3-thiolanyl)thiourea IUPAC Name: 1-(2,4-dinitrophenyl)-3-(1,1-dioxothiolan-3-yl)thiourea Traditional Name: 1-(1,1-diketothiolan-3-yl)-3-(2,4-dinitrophenyl)thiourea Formula: C11H12N4O6S2 MolecularWeight: 360.36618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O6S2/c16-14(17)8-1-2-9(10(5-8)15(18)19)13-11(22)12-7-3-4-23(20,21)6-7/h1-2,5,7H,3-4,6H2,(H2,12,13,22)