N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-N-(3-pyridylmethyl)benzamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-N-(3-pyridinylmethyl)benzamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-N-(3-pyridylmethyl)benzamide Formula: C20H13FN4O3S MolecularWeight: 408.405623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C20H13FN4O3S/c21-15-6-7-17-18(10-15)29-20(23-17)24(12-13-3-2-8-22-11-13)19(26)14-4-1-5-16(9-14)25(27)28/h1-11H,12H2