4-bromanyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(1H-1,2,4-triazol-5-ylamino)butan-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(1H-1,2,4-triazol-5-ylamino)butan-2-yl]benzamide Openeye Name: 4-bromo-N-[(1S)-2-methyl-1-(1H-1,2,4-triazol-5-ylcarbamoyl)propyl]benzamide CAS Name: 4-bromo-N-[(2S)-3-methyl-1-oxo-1-(1H-1,2,4-triazol-5-ylamino)butan-2-yl]benzamide IUPAC Name: 4-bromo-N-[(2S)-3-methyl-1-oxo-1-(1H-1,2,4-triazol-5-ylamino)butan-2-yl]benzamide Traditional Name: 4-bromo-N-[(1S)-2-methyl-1-(1H-1,2,4-triazol-5-ylcarbamoyl)propyl]benzamide Formula: C14H16BrN5O2 MolecularWeight: 366.21314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC=NN1)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC=NN1)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H16BrN5O2/c1-8(2)11(13(22)19-14-16-7-17-20-14)18-12(21)9-3-5-10(15)6-4-9/h3-8,11H,1-2H3,(H,18,21)(H2,16,17,19,20,22)/t11-/m0/s1