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

Systemtic Name: 2-[2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-methyl-amino]-N-cyclopropyl-ethanamide Openeye Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methyl-amino]-N-cyclopropyl-acetamide CAS Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-methylamino]-N-cyclopropylacetamide IUPAC Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide Traditional Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]-methyl-amino]-N-cyclopropyl-acetamide Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N(C)CC(=O)NC4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N(C)CC(=O)NC4CC4

InChI

InChI=1S/C26H31N5O2S/c1-26(2,3)19-12-10-18(11-13-19)24-28-29-25(31(24)21-8-6-5-7-9-21)34-17-23(33)30(4)16-22(32)27-20-14-15-20/h5-13,20H,14-17H2,1-4H3,(H,27,32)