N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-(3-methylsulfanylphenyl)methanamine

Systemtic Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-(3-methylsulfanylphenyl)methanamine Openeye Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-(3-methylsulfanylphenyl)methanamine CAS Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-[3-(methylthio)phenyl]methanamine IUPAC Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-(3-methylsulfanylphenyl)methanamine Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[3-(methylthio)benzyl]amine Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CNCC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC=CC(=C1)CNCC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O2S/c1-25-16-4-2-3-13(7-16)9-20-10-15-11-21-22-19(15)14-5-6-17-18(8-14)24-12-23-17/h2-8,11,20H,9-10,12H2,1H3,(H,21,22)