4-[(2E)-2-(6-fluoranyl-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]benzoic acid

Systemtic Name: 4-[(2E)-2-(6-fluoranyl-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]benzoic acid Openeye Name: 4-[(2E)-2-(6-fluorothiochroman-4-ylidene)hydrazino]benzoic acid CAS Name: 4-[(2E)-2-(6-fluoro-2,3-dihydro-1-benzothiopyran-4-ylidene)hydrazinyl]benzoic acid IUPAC Name: 4-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]benzoic acid Traditional Name: 4-[(N'E)-N'-(6-fluorothiochroman-4-ylidene)hydrazino]benzoic acid Formula: C16H13FN2O2S MolecularWeight: 316.350023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1=NNC3=CC=C(C=C3)C(=O)O)C=C(C=C2)F

Isomeric SMILES

C\1CSC2=C(/C1=N/NC3=CC=C(C=C3)C(=O)O)C=C(C=C2)F

InChI

InChI=1S/C16H13FN2O2S/c17-11-3-6-15-13(9-11)14(7-8-22-15)19-18-12-4-1-10(2-5-12)16(20)21/h1-6,9,18H,7-8H2,(H,20,21)/b19-14+