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

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C17H17FN4OS2 MolecularWeight: 376.471483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3)F

InChI

InChI=1S/C17H17FN4OS2/c1-11-4-5-12(9-13(11)18)10-19-15(23)6-7-22-16(20-21-17(22)24)14-3-2-8-25-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,23)(H,21,24)