1-[(3S)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(5-nitro-2-oxidanyl-phenyl)urea

Systemtic Name: 1-[(3S)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(5-nitro-2-oxidanyl-phenyl)urea Openeye Name: 1-(2-hydroxy-5-nitro-phenyl)-3-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]urea CAS Name: 1-(2-hydroxy-5-nitrophenyl)-3-[(3S)-3-methyl-1,1-dioxo-3-thiolanyl]urea IUPAC Name: 1-(2-hydroxy-5-nitrophenyl)-3-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]urea Traditional Name: 1-[(3S)-1,1-diketo-3-methyl-thiolan-3-yl]-3-(2-hydroxy-5-nitro-phenyl)urea Formula: C12H15N3O6S MolecularWeight: 329.329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@]1(CCS(=O)(=O)C1)NC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H15N3O6S/c1-12(4-5-22(20,21)7-12)14-11(17)13-9-6-8(15(18)19)2-3-10(9)16/h2-3,6,16H,4-5,7H2,1H3,(H2,13,14,17)/t12-/m0/s1