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

Systemtic Name: 1-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-3-(2-nitrophenyl)thiourea Openeye Name: 1-[(1,1-dioxothiolan-3-yl)methyl]-3-(2-nitrophenyl)thiourea CAS Name: 1-[(1,1-dioxo-3-thiolanyl)methyl]-3-(2-nitrophenyl)thiourea IUPAC Name: 1-[(1,1-dioxothiolan-3-yl)methyl]-3-(2-nitrophenyl)thiourea Traditional Name: 1-[(1,1-diketothiolan-3-yl)methyl]-3-(2-nitrophenyl)thiourea Formula: C12H15N3O4S2 MolecularWeight: 329.3952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S2/c16-15(17)11-4-2-1-3-10(11)14-12(20)13-7-9-5-6-21(18,19)8-9/h1-4,9H,5-8H2,(H2,13,14,20)