(6-chloranyl-1,3-benzodioxol-5-yl)methyl N-cyano-N'-methyl-carbamimidothioate

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl N-cyano-N'-methyl-carbamimidothioate Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-cyano-3-methyl-isothiourea CAS Name: N-cyano-N'-methylcarbamimidothioic acid (6-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methyl N-cyano-N'-methylcarbamimidothioate Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-cyano-3-methyl-isothiourea Formula: C11H10ClN3O2S MolecularWeight: 283.734

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)SCC1=CC2=C(C=C1Cl)OCO2

Isomeric SMILES

CN=C(NC#N)SCC1=CC2=C(C=C1Cl)OCO2

InChI

InChI=1S/C11H10ClN3O2S/c1-14-11(15-5-13)18-4-7-2-9-10(3-8(7)12)17-6-16-9/h2-3H,4,6H2,1H3,(H,14,15)