N,N-diethyl-2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N,N-diethyl-2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N,N-diethyl-2-[[4-phenyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N,N-diethyl-2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N,N-diethyl-2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N,N-diethyl-2-[[4-phenyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)CS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)CS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N4O3S2/c1-4-25(5-2)21(27)15-30-22-24-23-20(26(22)18-9-7-6-8-10-18)16-31(28,29)19-13-11-17(3)12-14-19/h6-14H,4-5,15-16H2,1-3H3