(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C16H19BrN4OS MolecularWeight: 395.31726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3CC3)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)SC2=NN=C(N2C3CC3)C)Br

InChI

InChI=1S/C16H19BrN4OS/c1-9-4-7-14(13(17)8-9)18-15(22)10(2)23-16-20-19-11(3)21(16)12-5-6-12/h4,7-8,10,12H,5-6H2,1-3H3,(H,18,22)/t10-/m0/s1