N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-1,3-benzothiazole-6-carboxamide Formula: C16H11BrN4OS2 MolecularWeight: 419.31874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC3=CC=NN3CC4=CC(=CS4)Br)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC3=CC=NN3CC4=CC(=CS4)Br)SC=N2

InChI

InChI=1S/C16H11BrN4OS2/c17-11-6-12(23-8-11)7-21-15(3-4-19-21)20-16(22)10-1-2-13-14(5-10)24-9-18-13/h1-6,8-9H,7H2,(H,20,22)