(2S)-2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromanyl-4-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromanyl-4-methyl-phenyl)propanamide Openeye Name: (2S)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromo-4-methyl-phenyl)propanamide CAS Name: (2S)-2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(2-bromo-4-methylphenyl)propanamide IUPAC Name: (2S)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromo-4-methylphenyl)propanamide Traditional Name: (2S)-2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(2-bromo-4-methyl-phenyl)propionamide Formula: C12H14BrN5OS MolecularWeight: 356.24146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=CN2N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)SC2=NN=CN2N)Br

InChI

InChI=1S/C12H14BrN5OS/c1-7-3-4-10(9(13)5-7)16-11(19)8(2)20-12-17-15-6-18(12)14/h3-6,8H,14H2,1-2H3,(H,16,19)/t8-/m0/s1