[1-(4-cyanophenyl)-2-oxidanylidene-pyrrolidin-3-yl] N'-methylcarbamimidothioate

Systemtic Name: [1-(4-cyanophenyl)-2-oxidanylidene-pyrrolidin-3-yl] N'-methylcarbamimidothioate Openeye Name: 2-[1-(4-cyanophenyl)-2-oxo-pyrrolidin-3-yl]-3-methyl-isothiourea CAS Name: N'-methylcarbamimidothioic acid [1-(4-cyanophenyl)-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl] N'-methylcarbamimidothioate Traditional Name: 2-[1-(4-cyanophenyl)-2-keto-pyrrolidin-3-yl]-3-methyl-isothiourea Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)SC1CCN(C1=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN=C(N)SC1CCN(C1=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H14N4OS/c1-16-13(15)19-11-6-7-17(12(11)18)10-4-2-9(8-14)3-5-10/h2-5,11H,6-7H2,1H3,(H2,15,16)