3-[5-[(2-fluoranyl-5-nitro-phenyl)amino]-1,3,4-thiadiazol-2-yl]-8-methoxy-chromen-2-one

Systemtic Name: 3-[5-[(2-fluoranyl-5-nitro-phenyl)amino]-1,3,4-thiadiazol-2-yl]-8-methoxy-chromen-2-one Openeye Name: 3-[5-(2-fluoro-5-nitro-anilino)-1,3,4-thiadiazol-2-yl]-8-methoxy-chromen-2-one CAS Name: 3-[5-(2-fluoro-5-nitroanilino)-1,3,4-thiadiazol-2-yl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 3-[5-(2-fluoro-5-nitroanilino)-1,3,4-thiadiazol-2-yl]-8-methoxychromen-2-one Traditional Name: 3-[5-(2-fluoro-5-nitro-anilino)-1,3,4-thiadiazol-2-yl]-8-methoxy-coumarin Formula: C18H11FN4O5S MolecularWeight: 414.367143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C3=NN=C(S3)NC4=C(C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C3=NN=C(S3)NC4=C(C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C18H11FN4O5S/c1-27-14-4-2-3-9-7-11(17(24)28-15(9)14)16-21-22-18(29-16)20-13-8-10(23(25)26)5-6-12(13)19/h2-8H,1H3,(H,20,22)