2-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenylacetamide IUPAC Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylacetamide Traditional Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenyl-acetamide Formula: C28H30N4OS MolecularWeight: 470.629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N(C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N(C)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4OS/c1-28(2,3)23-17-15-22(16-18-23)26-29-30-27(32(26)19-21-11-7-5-8-12-21)34-20-25(33)31(4)24-13-9-6-10-14-24/h5-18H,19-20H2,1-4H3