N-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-2-phenyl-ethanamide Openeye Name: N-[2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-phenyl-acetamide CAS Name: N-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-phenylacetamide Traditional Name: N-[2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetyl]-2-phenyl-acetamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H28N4O2S/c1-5-15-29-23(19-11-13-20(14-12-19)25(2,3)4)27-28-24(29)32-17-22(31)26-21(30)16-18-9-7-6-8-10-18/h5-14H,1,15-17H2,2-4H3,(H,26,30,31)