2-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(2-thienylmethyl)amino]ethanol CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(2-thenyl)amino]ethanol Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)CN(CCO)CC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)CN(CCO)CC4=CC=CS4

InChI

InChI=1S/C18H19N3O3S/c22-6-5-21(11-15-2-1-7-25-15)10-14-9-19-20-18(14)13-3-4-16-17(8-13)24-12-23-16/h1-4,7-9,22H,5-6,10-12H2,(H,19,20)