[1-(4-nitrophenyl)-2-oxidanylidene-pyrrolidin-3-yl] carbamimidothioate

Systemtic Name: [1-(4-nitrophenyl)-2-oxidanylidene-pyrrolidin-3-yl] carbamimidothioate Openeye Name: 2-[1-(4-nitrophenyl)-2-oxo-pyrrolidin-3-yl]isothiourea CAS Name: carbamimidothioic acid [1-(4-nitrophenyl)-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-nitrophenyl)-2-oxopyrrolidin-3-yl] carbamimidothioate Traditional Name: 2-[2-keto-1-(4-nitrophenyl)pyrrolidin-3-yl]isothiourea Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1SC(=N)N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(=O)C1SC(=N)N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O3S/c12-11(13)19-9-5-6-14(10(9)16)7-1-3-8(4-2-7)15(17)18/h1-4,9H,5-6H2,(H3,12,13)