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

Systemtic Name: N-tert-butyl-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-21(2,3)22-18(26)14-28-20-24-23-19(15-8-6-5-7-9-15)25(20)16-10-12-17(27-4)13-11-16/h5-13H,14H2,1-4H3,(H,22,26)