N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-3,5-dimethyl-benzamide

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-3,5-dimethyl-benzamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-3,5-dimethyl-benzamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-3,5-dimethylbenzamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3,5-dimethylbenzamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-3,5-dimethyl-benzamide Formula: C17H16BrN3OS MolecularWeight: 390.29744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC2=CC=NN2CC3=CC(=CS3)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC2=CC=NN2CC3=CC(=CS3)Br)C

InChI

InChI=1S/C17H16BrN3OS/c1-11-5-12(2)7-13(6-11)17(22)20-16-3-4-19-21(16)9-15-8-14(18)10-23-15/h3-8,10H,9H2,1-2H3,(H,20,22)