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

Systemtic Name: (2S)-N-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C12H13BrN4OS MolecularWeight: 341.22682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=NC(=NN1)S[C@@H](C)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H13BrN4OS/c1-7(19-12-14-8(2)16-17-12)11(18)15-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,15,18)(H,14,16,17)/t7-/m0/s1