5-cyclopropyl-2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 5-cyclopropyl-2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-cyclopropyl-2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-cyclopropyl-2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C22H29N5O4S2 MolecularWeight: 491.62676

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C5CC5

Isomeric SMILES

C=CCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C5CC5

InChI

InChI=1S/C22H29N5O4S2/c1-2-8-26-21(17-4-5-17)23-27(22(26)32)16-24-9-11-25(12-10-24)33(28,29)18-6-7-19-20(15-18)31-14-3-13-30-19/h2,6-7,15,17H,1,3-5,8-14,16H2