3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-tosyl-1,4-diazepan-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C15H20N4O2S3 MolecularWeight: 384.5399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CN3C(=S)SC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CN3C(=S)SC=N3

InChI

InChI=1S/C15H20N4O2S3/c1-13-3-5-14(6-4-13)24(20,21)18-8-2-7-17(9-10-18)12-19-15(22)23-11-16-19/h3-6,11H,2,7-10,12H2,1H3