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

Systemtic Name: 2-[2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-ethyl-amino]-N-ethyl-ethanamide Openeye Name: 2-[[2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethyl-amino]-N-ethyl-acetamide CAS Name: 2-[[2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-ethylamino]-N-ethylacetamide IUPAC Name: 2-[[2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-ethylacetamide Traditional Name: 2-[[2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetyl]-ethyl-amino]-N-ethyl-acetamide Formula: C20H30N6O2S MolecularWeight: 418.5562

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN(CC)C(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCNC(=O)CN(CC)C(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H30N6O2S/c1-6-22-16(27)12-25(7-2)17(28)13-29-19-24-23-18(26(19)21)14-8-10-15(11-9-14)20(3,4)5/h8-11H,6-7,12-13,21H2,1-5H3,(H,22,27)