2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C20H30N6O2S3 MolecularWeight: 482.6862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=CS4)C5CC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=CS4)C5CC5

InChI

InChI=1S/C20H30N6O2S3/c27-31(28,23-9-3-1-2-4-10-23)24-13-11-22(12-14-24)16-25-20(29)26(17-7-8-17)19(21-25)18-6-5-15-30-18/h5-6,15,17H,1-4,7-14,16H2