3-[5-[1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[1-(4-tert-butylphenyl)-1-oxopropan-2-yl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[1-(4-tert-butylphenyl)-1-oxopropan-2-yl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2C3CC3)CCC(=O)N

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2C3CC3)CCC(=O)N

InChI

InChI=1S/C21H28N4O2S/c1-13(19(27)14-5-7-15(8-6-14)21(2,3)4)28-20-24-23-18(12-11-17(22)26)25(20)16-9-10-16/h5-8,13,16H,9-12H2,1-4H3,(H2,22,26)