[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] N-cyano-N'-methyl-carbamimidothioate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] N-cyano-N'-methyl-carbamimidothioate Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-1-cyano-3-methyl-isothiourea CAS Name: N-cyano-N'-methylcarbamimidothioic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] N-cyano-N'-methylcarbamimidothioate Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-1-cyano-3-methyl-isothiourea Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)SCC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CN=C(NC#N)SCC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H11N3O3S/c1-14-12(15-6-13)19-5-9(16)8-2-3-10-11(4-8)18-7-17-10/h2-4H,5,7H2,1H3,(H,14,15)