1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C22H24N4OS/c1-22(2,3)17-6-4-15(5-7-17)19(27)14-28-21-25-24-20(26(21)18-8-9-18)16-10-12-23-13-11-16/h4-7,10-13,18H,8-9,14H2,1-3H3