N-(3,5-dimethylphenyl)-2-[5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[5-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-3-(4-pyridyl)-1,2,4-triazol-1-yl]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[5-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[5-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-3-(4-pyridyl)-1,2,4-triazol-1-yl]acetamide Formula: C25H23FN6O2S MolecularWeight: 490.552523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CN2C(=NC(=N2)C3=CC=NC=C3)SCC(=O)NC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CN2C(=NC(=N2)C3=CC=NC=C3)SCC(=O)NC4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H23FN6O2S/c1-16-11-17(2)13-21(12-16)29-22(33)14-32-25(30-24(31-32)18-7-9-27-10-8-18)35-15-23(34)28-20-5-3-19(26)4-6-20/h3-13H,14-15H2,1-2H3,(H,28,34)(H,29,33)