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

Systemtic Name: N-(4-butylphenyl)-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-(4-butylphenyl)acetamide CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-butylphenyl)acetamide IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamide Traditional Name: 2-[[5-(besylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-butylphenyl)acetamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3S2/c1-3-4-8-17-11-13-18(14-12-17)23-21(27)15-30-22-25-24-20(26(22)2)16-31(28,29)19-9-6-5-7-10-19/h5-7,9-14H,3-4,8,15-16H2,1-2H3,(H,23,27)