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

Systemtic Name: N-tert-butyl-2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(C)(C)C

InChI

InChI=1S/C21H24N4OS/c1-15-10-8-9-13-17(15)19-23-24-20(25(19)16-11-6-5-7-12-16)27-14-18(26)22-21(2,3)4/h5-13H,14H2,1-4H3,(H,22,26)