3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-benzyl-5-(2-furyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-benzyl-5-(furan-2-yl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(2-furyl)-5-(piperonylthio)-1,2,4-triazole Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C21H17N3O3S/c1-2-5-15(6-3-1)12-24-20(18-7-4-10-25-18)22-23-21(24)28-13-16-8-9-17-19(11-16)27-14-26-17/h1-11H,12-14H2