N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-3-methoxy-4-methyl-benzamide

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-3-methoxy-4-methyl-benzamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-3-methoxy-4-methyl-benzamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-3-methoxy-4-methylbenzamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3-methoxy-4-methylbenzamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-3-methoxy-4-methyl-benzamide Formula: C17H16BrN3O2S MolecularWeight: 406.29684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O2S/c1-11-3-4-12(7-15(11)23-2)17(22)20-16-5-6-19-21(16)9-14-8-13(18)10-24-14/h3-8,10H,9H2,1-2H3,(H,20,22)