4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(1-benzyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]-2-thiophenecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(1-benzyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(1-benzyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC3=CSC(=C3)C(=O)NC4=NN(C=N4)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC3=CSC(=C3)C(=O)NC4=NN(C=N4)CC5=CC=CC=C5

InChI

InChI=1S/C22H18N4O4S/c27-21(24-22-23-13-26(25-22)10-15-4-2-1-3-5-15)20-8-16(12-31-20)11-28-17-6-7-18-19(9-17)30-14-29-18/h1-9,12-13H,10-11,14H2,(H,24,25,27)