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

Systemtic Name: (2S)-N-(3-bromophenyl)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(3-bromophenyl)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(3-bromophenyl)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(3-bromophenyl)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(3-bromophenyl)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C15H19BrN4OS MolecularWeight: 383.30656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)SC2=NNC(=N2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Br)SC2=NNC(=N2)C(C)(C)C

InChI

InChI=1S/C15H19BrN4OS/c1-9(12(21)17-11-7-5-6-10(16)8-11)22-14-18-13(19-20-14)15(2,3)4/h5-9H,1-4H3,(H,17,21)(H,18,19,20)/t9-/m0/s1