methyl (NE)-N'-azanyl-N-(1,3-benzodioxol-5-ylmethylidene)carbamimidothioate

Systemtic Name: methyl (NE)-N'-azanyl-N-(1,3-benzodioxol-5-ylmethylidene)carbamimidothioate Openeye Name: (1E)-3-amino-1-(1,3-benzodioxol-5-ylmethylene)-2-methyl-isothiourea CAS Name: (NE)-N'-amino-N-(1,3-benzodioxol-5-ylmethylidene)carbamimidothioic acid methyl ester IUPAC Name: methyl (NE)-N'-amino-N-(1,3-benzodioxol-5-ylmethylidene)carbamimidothioate Traditional Name: (1E)-3-amino-2-methyl-1-piperonylidene-isothiourea Formula: C10H11N3O2S MolecularWeight: 237.27824

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NN)N=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CS/C(=N\N)/N=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C10H11N3O2S/c1-16-10(13-11)12-5-7-2-3-8-9(4-7)15-6-14-8/h2-5H,6,11H2,1H3/b12-5+,13-10-