5-(4-chlorophenyl)-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-chlorophenyl)-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-2-[(4-mesyl-1,4-diazepan-1-yl)methyl]-1H-1,2,4-triazole-3-thione Formula: C15H20ClN5O2S2 MolecularWeight: 401.9346

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H20ClN5O2S2/c1-25(22,23)20-8-2-7-19(9-10-20)11-21-15(24)17-14(18-21)12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3,(H,17,18,24)