(2R)-N-(1,3-benzothiazol-2-yl)-2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanamide

Systemtic Name: (2R)-N-(1,3-benzothiazol-2-yl)-2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanamide Openeye Name: (2R)-N-(1,3-benzothiazol-2-yl)-2-(4-bromo-5-methyl-pyrazol-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzothiazol-2-yl)-2-(4-bromo-5-methyl-1-pyrazolyl)propanamide IUPAC Name: (2R)-N-(1,3-benzothiazol-2-yl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide Traditional Name: (2R)-N-(1,3-benzothiazol-2-yl)-2-(4-bromo-5-methyl-pyrazol-1-yl)propionamide Formula: C14H13BrN4OS MolecularWeight: 365.24822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C(C)C(=O)NC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

CC1=C(C=NN1[C@H](C)C(=O)NC2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C14H13BrN4OS/c1-8-10(15)7-16-19(8)9(2)13(20)18-14-17-11-5-3-4-6-12(11)21-14/h3-7,9H,1-2H3,(H,17,18,20)/t9-/m1/s1