4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-cinnamylsulfanyl-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-(3-phenylprop-2-enylthio)-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Traditional Name: 3-(cinnamylthio)-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC=CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC=CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O2S/c1-3-8-19(9-4-1)10-7-15-31-25-27-26-24(21-11-5-2-6-12-21)28(25)17-20-13-14-22-23(16-20)30-18-29-22/h1-14,16H,15,17-18H2