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

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromo-4-methyl-phenyl)propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2-bromo-4-methyl-phenyl)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(N2CC=C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)SC2=NN=C(N2CC=C)C)Br

InChI

InChI=1S/C16H19BrN4OS/c1-5-8-21-12(4)19-20-16(21)23-11(3)15(22)18-14-7-6-10(2)9-13(14)17/h5-7,9,11H,1,8H2,2-4H3,(H,18,22)/t11-/m0/s1