2-(1,2-benzoxazol-3-yl)-N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]ethanamide

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]ethanamide Openeye Name: 2-(1,2-benzoxazol-3-yl)-N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]acetamide CAS Name: 2-(1,2-benzoxazol-3-yl)-N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]acetamide IUPAC Name: 2-(1,2-benzoxazol-3-yl)-N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-2-indoxazen-3-yl-acetamide Formula: C17H13BrN4O2S MolecularWeight: 417.27972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)CC(=O)NC3=CC=NN3CC4=CC(=CS4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)CC(=O)NC3=CC=NN3CC4=CC(=CS4)Br

InChI

InChI=1S/C17H13BrN4O2S/c18-11-7-12(25-10-11)9-22-16(5-6-19-22)20-17(23)8-14-13-3-1-2-4-15(13)24-21-14/h1-7,10H,8-9H2,(H,20,23)