1-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-3-(4-nitrophenyl)urea Openeye Name: 1-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-nitrophenyl)urea CAS Name: 1-[(1,1-dioxo-3-thiolanyl)methyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[(1,1-diketothiolan-3-yl)methyl]-3-(4-nitrophenyl)urea Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CC1CNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5S/c16-12(13-7-9-5-6-21(19,20)8-9)14-10-1-3-11(4-2-10)15(17)18/h1-4,9H,5-8H2,(H2,13,14,16)