8-nitro-N-[3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidin-4-amine chloride

Systemtic Name: 8-nitro-N-[3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidin-4-amine chloride Openeye Name: 8-nitro-N-[3-(trifluoromethyl)phenyl]benzothiopheno[3,2-d]pyrimidin-4-amine chloride CAS Name: 8-nitro-N-[3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidin-4-amine chloride IUPAC Name: 8-nitro-N-[3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidin-4-amine chloride Traditional Name: (8-nitrobenzothiopheno[3,2-d]pyrimidin-4-yl)-[3-(trifluoromethyl)phenyl]amine chloride Formula: C17H9ClF3N4O2S- MolecularWeight: 425.79217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=NC3=C2SC4=C3C=C(C=C4)[N+](=O)[O-])C(F)(F)F.[Cl-]

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=NC3=C2SC4=C3C=C(C=C4)[N+](=O)[O-])C(F)(F)F.[Cl-]

InChI

InChI=1S/C17H9F3N4O2S.ClH/c18-17(19,20)9-2-1-3-10(6-9)23-16-15-14(21-8-22-16)12-7-11(24(25)26)4-5-13(12)27-15;/h1-8H,(H,21,22,23);1H/p-1