3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4,5-bis(4-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4,5-bis(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4,5-bis(p-tolyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-4,5-bis(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4,5-bis(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-(piperonylthio)-4,5-bis(p-tolyl)-1,2,4-triazole Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21N3O2S/c1-16-3-8-19(9-4-16)23-25-26-24(27(23)20-10-5-17(2)6-11-20)30-14-18-7-12-21-22(13-18)29-15-28-21/h3-13H,14-15H2,1-2H3