5-(1,3-benzodioxol-5-yloxymethyl)-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-(3-thienylmethyl)-1H-pyrazole-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-(3-thiophenylmethyl)-1H-pyrazole-3-carboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-(3-thenyl)-1H-pyrazole-3-carboxamide Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC3=CC(=NN3)C(=O)NCC4=CSC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC3=CC(=NN3)C(=O)NCC4=CSC=C4

InChI

InChI=1S/C17H15N3O4S/c21-17(18-7-11-3-4-25-9-11)14-5-12(19-20-14)8-22-13-1-2-15-16(6-13)24-10-23-15/h1-6,9H,7-8,10H2,(H,18,21)(H,19,20)