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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)F

InChI

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