N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: 1-phenyl-N-piperonyl-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C21H16N4O3S/c26-21(22-12-14-8-9-16-17(11-14)28-13-27-16)19-23-20(18-7-4-10-29-18)25(24-19)15-5-2-1-3-6-15/h1-11H,12-13H2,(H,22,26)