2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolylsulfonyl)acetamide CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(4-methylphenyl)sulfonylacetamide IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)sulfonylacetamide Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-tosyl-acetamide Formula: C15H21N5O3S2 MolecularWeight: 383.48894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC(=O)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC(=O)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C15H21N5O3S2/c1-3-4-5-13-17-18-15(20(13)16)24-10-14(21)19-25(22,23)12-8-6-11(2)7-9-12/h6-9H,3-5,10,16H2,1-2H3,(H,19,21)