3-bromanyl-N-(5-oxidanylidene-2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide

Systemtic Name: 3-bromanyl-N-(5-oxidanylidene-2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide Openeye Name: 3-bromo-N-[5-oxo-2-(2-thienyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide CAS Name: 3-bromo-N-(5-oxo-2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide IUPAC Name: 3-bromo-N-(5-oxo-2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide Traditional Name: 3-bromo-N-[5-keto-2-(2-thienyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide Formula: C16H10BrN5O2S MolecularWeight: 416.2519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)NC2=CC(=O)N=C3N2NC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)NC2=CC(=O)N=C3N2NC(=N3)C4=CC=CS4

InChI

InChI=1S/C16H10BrN5O2S/c17-10-4-1-3-9(7-10)15(24)18-12-8-13(23)19-16-20-14(21-22(12)16)11-5-2-6-25-11/h1-8H,(H,18,24)(H,19,20,21,23)