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

Systemtic Name: 2-[2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-methyl-amino]-N-cyclopropyl-ethanamide Openeye Name: 2-[[2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methyl-amino]-N-cyclopropyl-acetamide CAS Name: 2-[[2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-methylamino]-N-cyclopropylacetamide IUPAC Name: 2-[[2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide Traditional Name: 2-[[2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetyl]-methyl-amino]-N-cyclopropyl-acetamide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N(C)CC(=O)NC3CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N(C)CC(=O)NC3CC3

InChI

InChI=1S/C20H28N6O2S/c1-20(2,3)14-7-5-13(6-8-14)18-23-24-19(26(18)21)29-12-17(28)25(4)11-16(27)22-15-9-10-15/h5-8,15H,9-12,21H2,1-4H3,(H,22,27)