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

Systemtic Name: 3-nitro-N-(5-oxidanylidene-2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide Openeye Name: 3-nitro-N-[5-oxo-2-(2-thienyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide CAS Name: 3-nitro-N-(5-oxo-2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide IUPAC Name: 3-nitro-N-(5-oxo-2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide Traditional Name: N-[5-keto-2-(2-thienyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-nitro-benzamide Formula: C16H10N6O4S MolecularWeight: 382.3534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=O)N=C3N2NC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=O)N=C3N2NC(=N3)C4=CC=CS4

InChI

InChI=1S/C16H10N6O4S/c23-13-8-12(17-15(24)9-3-1-4-10(7-9)22(25)26)21-16(18-13)19-14(20-21)11-5-2-6-27-11/h1-8H,(H,17,24)(H,18,19,20,23)