N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-oxidanylidene-butanethioamide

Systemtic Name: N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-oxidanylidene-butanethioamide Openeye Name: N-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]-3-oxo-butanethioamide CAS Name: N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-oxobutanethioamide IUPAC Name: N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-oxobutanethioamide Traditional Name: N-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]-3-keto-thiobutyramide Formula: C18H15FN4OS MolecularWeight: 354.401303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=S)NC1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)CC(=S)NC1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H15FN4OS/c1-11(24)10-15(25)21-18-16(12-6-8-20-9-7-12)17(22-23-18)13-2-4-14(19)5-3-13/h2-9H,10H2,1H3,(H2,21,22,23,25)