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

Systemtic Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-phenyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-phenyl-5-(tosylmethyl)-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)S(=O)(=O)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C18H18N4O3S2/c1-13-7-9-15(10-8-13)27(24,25)12-17-20-21-18(26-11-16(19)23)22(17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,19,23)