3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N3O3S/c1-14-17(9-10-25-14)20-22-23-21(24(20)16-5-3-2-4-6-16)28-12-15-7-8-18-19(11-15)27-13-26-18/h2-11H,12-13H2,1H3