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

Systemtic Name: 2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-mesyl-1,4-diazepan-1-yl)methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione Formula: C13H19N5O2S3 MolecularWeight: 373.51726

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)CN2C(=S)N=C(N2)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)CN2C(=S)N=C(N2)C3=CC=CS3

InChI

InChI=1S/C13H19N5O2S3/c1-23(19,20)17-6-3-5-16(7-8-17)10-18-13(21)14-12(15-18)11-4-2-9-22-11/h2,4,9H,3,5-8,10H2,1H3,(H,14,15,21)