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

Systemtic Name: N-(3-methylsulfonylphenyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-methylsulfonylphenyl)-2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-methylsulfonylphenyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methylsulfonylphenyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-mesylphenyl)-2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H18N4O3S3 MolecularWeight: 422.54482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NN=CN2CCC3=CC=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NN=CN2CCC3=CC=CS3

InChI

InChI=1S/C17H18N4O3S3/c1-27(23,24)15-6-2-4-13(10-15)19-16(22)11-26-17-20-18-12-21(17)8-7-14-5-3-9-25-14/h2-6,9-10,12H,7-8,11H2,1H3,(H,19,22)