N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine

Systemtic Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine Openeye Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine CAS Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-[(1-methyl-2-imidazolyl)thio]ethanamine IUPAC Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanylethanamine Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-[(1-methylimidazol-2-yl)thio]ethyl]amine Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNCC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=CN=C1SCCNCC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N5O2S/c1-22-6-4-19-17(22)25-7-5-18-9-13-10-20-21-16(13)12-2-3-14-15(8-12)24-11-23-14/h2-4,6,8,10,18H,5,7,9,11H2,1H3,(H,20,21)