N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Openeye Name: N-[2-(diethylamino)-2-(3-thienyl)ethyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide CAS Name: N-[2-(diethylamino)-2-(3-thiophenyl)ethyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide IUPAC Name: N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Traditional Name: N-[2-(diethylamino)-2-(3-thienyl)ethyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Formula: C20H24FN5OS MolecularWeight: 401.500863

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=NN(C(=N1)C)C2=CC=C(C=C2)F)C3=CSC=C3

Isomeric SMILES

CCN(CC)C(CNC(=O)C1=NN(C(=N1)C)C2=CC=C(C=C2)F)C3=CSC=C3

InChI

InChI=1S/C20H24FN5OS/c1-4-25(5-2)18(15-10-11-28-13-15)12-22-20(27)19-23-14(3)26(24-19)17-8-6-16(21)7-9-17/h6-11,13,18H,4-5,12H2,1-3H3,(H,22,27)