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

Systemtic Name: 3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-methylphenyl)propanamide Openeye Name: 3-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(p-tolyl)propanamide CAS Name: 3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-methylphenyl)propanamide IUPAC Name: 3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-methylphenyl)propanamide Traditional Name: 3-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(p-tolyl)propionamide Formula: C18H17FN4OS MolecularWeight: 356.417183

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN4OS/c1-12-2-8-15(9-3-12)20-16(24)10-11-23-17(21-22-18(23)25)13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3,(H,20,24)(H,22,25)