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

Systemtic Name: 3-[5-[(2-fluoranyl-5-nitro-phenyl)amino]-1,3,4-thiadiazol-2-yl]chromen-2-one Openeye Name: 3-[5-(2-fluoro-5-nitro-anilino)-1,3,4-thiadiazol-2-yl]chromen-2-one CAS Name: 3-[5-(2-fluoro-5-nitroanilino)-1,3,4-thiadiazol-2-yl]-1-benzopyran-2-one IUPAC Name: 3-[5-(2-fluoro-5-nitroanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one Traditional Name: 3-[5-(2-fluoro-5-nitro-anilino)-1,3,4-thiadiazol-2-yl]coumarin Formula: C17H9FN4O4S MolecularWeight: 384.341163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN=C(S3)NC4=C(C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN=C(S3)NC4=C(C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C17H9FN4O4S/c18-12-6-5-10(22(24)25)8-13(12)19-17-21-20-15(27-17)11-7-9-3-1-2-4-14(9)26-16(11)23/h1-8H,(H,19,21)