(2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide Openeye Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-isopropylphenyl)propanamide CAS Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-o-cumenyl-propionamide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NNC(=N2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)SC2=NNC(=N2)C(C)(C)C

InChI

InChI=1S/C18H26N4OS/c1-11(2)13-9-7-8-10-14(13)19-15(23)12(3)24-17-20-16(21-22-17)18(4,5)6/h7-12H,1-6H3,(H,19,23)(H,20,21,22)/t12-/m0/s1