methyl 3-[1-ethanoyl-4-(4-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-3-yl]naphthalene-2-carboxylate

Systemtic Name: methyl 3-[1-ethanoyl-4-(4-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-3-yl]naphthalene-2-carboxylate Openeye Name: methyl 3-[1-acetyl-4-(4-fluorophenyl)-5-thioxo-1,2,4-triazol-3-yl]naphthalene-2-carboxylate CAS Name: 3-[1-acetyl-4-(4-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-3-yl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-[1-acetyl-4-(4-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-3-yl]naphthalene-2-carboxylate Traditional Name: 3-[1-acetyl-4-(4-fluorophenyl)-5-thioxo-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid methyl ester Formula: C22H16FN3O3S MolecularWeight: 421.444143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=S)N(C(=N1)C2=CC3=CC=CC=C3C=C2C(=O)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)N1C(=S)N(C(=N1)C2=CC3=CC=CC=C3C=C2C(=O)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3O3S/c1-13(27)26-22(30)25(17-9-7-16(23)8-10-17)20(24-26)18-11-14-5-3-4-6-15(14)12-19(18)21(28)29-2/h3-12H,1-2H3