5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-[(4-methylsulfonyl-1-piperazinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[(4-mesylpiperazino)methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C17H23N5O4S2 MolecularWeight: 425.52562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C)C3COC4=CC=CC=C4O3

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C17H23N5O4S2/c1-19-16(15-11-25-13-5-3-4-6-14(13)26-15)18-22(17(19)27)12-20-7-9-21(10-8-20)28(2,23)24/h3-6,15H,7-12H2,1-2H3