2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 5-(2-thienyl)-2-[(4-tosyl-1,4-diazepan-1-yl)methyl]-1H-1,2,4-triazole-3-thione Formula: C19H23N5O2S3 MolecularWeight: 449.61322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CN3C(=S)N=C(N3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CN3C(=S)N=C(N3)C4=CC=CS4

InChI

InChI=1S/C19H23N5O2S3/c1-15-5-7-16(8-6-15)29(25,26)23-10-3-9-22(11-12-23)14-24-19(27)20-18(21-24)17-4-2-13-28-17/h2,4-8,13H,3,9-12,14H2,1H3,(H,20,21,27)