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

Systemtic Name: 2-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-ethyl-amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethyl-amino]-N-isopropyl-acetamide CAS Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-ethylamino]-N-propan-2-ylacetamide IUPAC Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide Traditional Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]-ethyl-amino]-N-isopropyl-acetamide Formula: C22H33N5O2S MolecularWeight: 431.59472

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(C)C)C(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCN(CC(=O)NC(C)C)C(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H33N5O2S/c1-8-27(13-18(28)23-15(2)3)19(29)14-30-21-25-24-20(26(21)7)16-9-11-17(12-10-16)22(4,5)6/h9-12,15H,8,13-14H2,1-7H3,(H,23,28)