2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]-1-(2-thienyl)ethanone Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H17N3O3S2/c26-17(20-7-4-10-29-20)13-30-22-24-23-21(16-5-2-1-3-6-16)25(22)12-15-8-9-18-19(11-15)28-14-27-18/h1-11H,12-14H2