3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-methyl-2-oxidanyl-phenyl)propanamide

Systemtic Name: 3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-methyl-2-oxidanyl-phenyl)propanamide Openeye Name: 3-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-hydroxy-4-methyl-phenyl)propanamide CAS Name: 3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-hydroxy-4-methylphenyl)propanamide IUPAC Name: 3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-hydroxy-4-methylphenyl)propanamide Traditional Name: 3-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-hydroxy-4-methyl-phenyl)propionamide Formula: C18H17FN4O2S MolecularWeight: 372.416583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)F)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C18H17FN4O2S/c1-11-2-7-14(15(24)10-11)20-16(25)8-9-23-17(21-22-18(23)26)12-3-5-13(19)6-4-12/h2-7,10,24H,8-9H2,1H3,(H,20,25)(H,22,26)