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

Systemtic Name: 2-[[3-(4-fluorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[4-allyl-3-(4-fluorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[3-(4-fluorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[[3-(4-fluorophenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[4-allyl-3-(4-fluorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C18H24FN5OS MolecularWeight: 377.479463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24FN5OS/c1-4-10-20-16(25)12-22(3)13-24-18(26)23(11-5-2)17(21-24)14-6-8-15(19)9-7-14/h5-9H,2,4,10-13H2,1,3H3,(H,20,25)