N-(2-methylsulfonylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methylsulfonylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-methylsulfonylphenyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-methylsulfonylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methylsulfonylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-mesylphenyl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H16N4O3S3 MolecularWeight: 408.51824

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C16H16N4O3S3/c1-26(22,23)13-7-3-2-6-12(13)17-15(21)10-25-16-18-14(19-20-16)9-11-5-4-8-24-11/h2-8H,9-10H2,1H3,(H,17,21)(H,18,19,20)