4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-methylphenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-methylphenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(m-tolylmethylsulfanylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(3-methylphenyl)methylthio]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-methylphenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(3-methylbenzyl)thio]methyl]-1H-1,2,4-triazole-5-thione Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=CC=C1)CSCC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H19N3O2S2/c1-13-3-2-4-14(9-13)11-26-12-18-20-21-19(25)22(18)15-5-6-16-17(10-15)24-8-7-23-16/h2-6,9-10H,7-8,11-12H2,1H3,(H,21,25)