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

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C13H15BrN4OS MolecularWeight: 355.2534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=CN2C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)SC2=NN=CN2C)Br

InChI

InChI=1S/C13H15BrN4OS/c1-8-4-5-11(10(14)6-8)16-12(19)9(2)20-13-17-15-7-18(13)3/h4-7,9H,1-3H3,(H,16,19)/t9-/m0/s1