3-[4-ethyl-1-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-1-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-1-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-1-[[(3-fluorobenzyl)-methyl-amino]methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C16H22FN5OS MolecularWeight: 351.442183

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(C)CC2=CC(=CC=C2)F)CCC(=O)N

Isomeric SMILES

CCN1C(=NN(C1=S)CN(C)CC2=CC(=CC=C2)F)CCC(=O)N

InChI

InChI=1S/C16H22FN5OS/c1-3-21-15(8-7-14(18)23)19-22(16(21)24)11-20(2)10-12-5-4-6-13(17)9-12/h4-6,9H,3,7-8,10-11H2,1-2H3,(H2,18,23)