N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-2-methylsulfanyl-ethanamine

Systemtic Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-2-methylsulfanyl-ethanamine Openeye Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-2-methylsulfanyl-ethanamine CAS Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-2-(methylthio)ethanamine IUPAC Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylethanamine Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[2-(methylthio)ethyl]amine Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNCC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CSCCNCC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S/c1-26-10-9-21-12-16-13-23(17-5-3-2-4-6-17)22-20(16)15-7-8-18-19(11-15)25-14-24-18/h2-8,11,13,21H,9-10,12,14H2,1H3