N-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine

Systemtic Name: N-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine Openeye Name: N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine CAS Name: N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-[(1-methyl-2-imidazolyl)thio]ethanamine IUPAC Name: N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-(1-methylimidazol-2-yl)sulfanylethanamine Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)methyl-[2-[(1-methylimidazol-2-yl)thio]ethyl]amine Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CN1C=CN=C1SCCNCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C14H16ClN3O2S/c1-18-4-2-17-14(18)21-5-3-16-8-10-6-11(15)13-12(7-10)19-9-20-13/h2,4,6-7,16H,3,5,8-9H2,1H3