2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-butanamide

Systemtic Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-butanamide Openeye Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)butanamide CAS Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)butanamide IUPAC Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylbutanamide Traditional Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)butyramide Formula: C23H21FN4OS MolecularWeight: 420.502443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3C)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3C)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN4OS/c1-3-20(22(29)25-19-10-6-8-15-7-4-5-9-18(15)19)30-23-27-26-21(28(23)2)16-11-13-17(24)14-12-16/h4-14,20H,3H2,1-2H3,(H,25,29)