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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-(1,1-dioxothiolan-3-yl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(1,1-dioxo-3-thiolanyl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(1,1-dioxothiolan-3-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(1,1-diketothiolan-3-yl)-3-(4-nitrophenyl)thiourea Formula: C11H13N3O4S2 MolecularWeight: 315.36862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O4S2/c15-14(16)10-3-1-8(2-4-10)12-11(19)13-9-5-6-20(17,18)7-9/h1-4,9H,5-7H2,(H2,12,13,19)