N-(1,3-benzothiazol-2-ylmethyl)-4-bromanyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-bromanyl-1H-pyrrole-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-1H-pyrrole-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-1H-pyrrole-2-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-1H-pyrrole-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-1H-pyrrole-2-carboxamide Formula: C13H10BrN3OS MolecularWeight: 336.207

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CNC(=O)C3=CC(=CN3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CNC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C13H10BrN3OS/c14-8-5-10(15-6-8)13(18)16-7-12-17-9-3-1-2-4-11(9)19-12/h1-6,15H,7H2,(H,16,18)