5-cyclopropyl-2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione

Systemtic Name: 5-cyclopropyl-2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methyl]-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]methyl]-4-ethyl-1,2,4-triazole-3-thione Formula: C20H27N5O4S2 MolecularWeight: 465.58948

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5CC5

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5CC5

InChI

InChI=1S/C20H27N5O4S2/c1-2-24-19(15-3-4-15)21-25(20(24)30)14-22-7-9-23(10-8-22)31(26,27)16-5-6-17-18(13-16)29-12-11-28-17/h5-6,13,15H,2-4,7-12,14H2,1H3