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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylsulfonylphenyl)ethanamide Openeye Name: N-(4-methylsulfonylphenyl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-methylsulfonylphenyl)acetamide IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylsulfonylphenyl)acetamide Traditional Name: N-(4-mesylphenyl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H18N4O3S2/c1-12-3-5-13(6-4-12)17-20-18(22-21-17)26-11-16(23)19-14-7-9-15(10-8-14)27(2,24)25/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21,22)