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

Systemtic Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-thiophen-3-yl-methanamine Openeye Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-(3-thienyl)methanamine CAS Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)methanamine IUPAC Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(3-thenyl)amine Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)CNCC4=CSC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)CNCC4=CSC=C4

InChI

InChI=1S/C16H15N3O2S/c1-2-14-15(21-10-20-14)5-12(1)16-13(8-18-19-16)7-17-6-11-3-4-22-9-11/h1-5,8-9,17H,6-7,10H2,(H,18,19)