2-[[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbonylamino]-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbonylamino]-1-benzothiophene-3-carboxamide Openeye Name: 2-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]benzothiophene-3-carboxamide CAS Name: 2-[[[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-1-benzothiophene-3-carboxamide Traditional Name: 2-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]benzothiophene-3-carboxamide Formula: C20H15BrN4O2S MolecularWeight: 455.3277

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br)C(=O)N

InChI

InChI=1S/C20H15BrN4O2S/c21-14-9-23-25(11-14)10-12-5-7-13(8-6-12)19(27)24-20-17(18(22)26)15-3-1-2-4-16(15)28-20/h1-9,11H,10H2,(H2,22,26)(H,24,27)