N,N-diethyl-2-[[4-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N,N-diethyl-2-[[4-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide Traditional Name: 2-[[5-(besylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N,N-diethyl-acetamide Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1C)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1C)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H22N4O3S2/c1-4-20(5-2)15(21)11-24-16-18-17-14(19(16)3)12-25(22,23)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3