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

Systemtic Name: [1-(4-cyanophenyl)-2-oxidanylidene-pyrrolidin-3-yl] carbamimidothioate Openeye Name: 2-[1-(4-cyanophenyl)-2-oxo-pyrrolidin-3-yl]isothiourea CAS Name: carbamimidothioic acid [1-(4-cyanophenyl)-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl] carbamimidothioate Traditional Name: 2-[1-(4-cyanophenyl)-2-keto-pyrrolidin-3-yl]isothiourea Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1SC(=N)N)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CN(C(=O)C1SC(=N)N)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H12N4OS/c13-7-8-1-3-9(4-2-8)16-6-5-10(11(16)17)18-12(14)15/h1-4,10H,5-6H2,(H3,14,15)