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

Systemtic Name: 4-[[[3-(4-fluorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[3-(4-fluorophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[3-(4-fluorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[3-(4-fluorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[3-(4-fluorophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide Formula: C20H22FN5OS MolecularWeight: 399.484983

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)F)C

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H22FN5OS/c1-22-19(27)16-6-4-14(5-7-16)12-24(2)13-26-20(28)25(3)18(23-26)15-8-10-17(21)11-9-15/h4-11H,12-13H2,1-3H3,(H,22,27)