2-[[3-(4-fluorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[3-(4-fluorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[[3-(4-fluorophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-isopropyl-acetamide CAS Name: 2-[[3-(4-fluorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propan-2-ylacetamide IUPAC Name: 2-[[3-(4-fluorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propan-2-ylacetamide Traditional Name: 2-[[3-(4-fluorophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-isopropyl-acetamide Formula: C16H22FN5OS MolecularWeight: 351.442183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)F)C

Isomeric SMILES

CC(C)NC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C16H22FN5OS/c1-11(2)18-14(23)9-20(3)10-22-16(24)21(4)15(19-22)12-5-7-13(17)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,18,23)