N-(2-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide

Systemtic Name: N-(2-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)butanamide CAS Name: N-(2-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]butanamide IUPAC Name: N-(2-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-fluorophenyl)butyramide Formula: C20H20FN5OS MolecularWeight: 397.469103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1F)SC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1F)SC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C20H20FN5OS/c1-3-13-26-18(14-9-11-22-12-10-14)24-25-20(26)28-17(4-2)19(27)23-16-8-6-5-7-15(16)21/h3,5-12,17H,1,4,13H2,2H3,(H,23,27)