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

Systemtic Name: 1-(4-tert-butylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C20H25N3OS/c1-20(2,3)15-8-6-13(7-9-15)17(24)12-25-19-22-21-18(14-4-5-14)23(19)16-10-11-16/h6-9,14,16H,4-5,10-12H2,1-3H3