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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC3=NC(=O)C=C(N3N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NC3=NC(=O)C=C(N3N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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