methyl N-cyano-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Openeye Name: 1-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-isothiourea CAS Name: N-cyano-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Traditional Name: 1-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-isothiourea Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC2=C(C=C1)OCCO2)NC#N

Isomeric SMILES

CSC(=NC1=CC2=C(C=C1)OCCO2)NC#N

InChI

InChI=1S/C11H11N3O2S/c1-17-11(13-7-12)14-8-2-3-9-10(6-8)16-5-4-15-9/h2-3,6H,4-5H2,1H3,(H,13,14)