N-[4-[[5-fluoranyl-2-(3-methylsulfanylphenoxy)pyridin-3-yl]carbonylamino]cyclohexyl]-2H-benzotriazole-4-carboxamide

Systemtic Name: N-[4-[[5-fluoranyl-2-(3-methylsulfanylphenoxy)pyridin-3-yl]carbonylamino]cyclohexyl]-2H-benzotriazole-4-carboxamide Openeye Name: N-[4-[[5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]cyclohexyl]-2H-benzotriazole-4-carboxamide CAS Name: N-[4-[[[5-fluoro-2-[3-(methylthio)phenoxy]-3-pyridinyl]-oxomethyl]amino]cyclohexyl]-2H-benzotriazole-4-carboxamide IUPAC Name: N-[4-[[5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]cyclohexyl]-2H-benzotriazole-4-carboxamide Traditional Name: N-[4-[[5-fluoro-2-[3-(methylthio)phenoxy]nicotinoyl]amino]cyclohexyl]-2H-benzotriazole-4-carboxamide Formula: C26H25FN6O3S MolecularWeight: 520.578503

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)OC2=NC=C(C=C2C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC5=NNN=C54)F

Isomeric SMILES

CSC1=CC=CC(=C1)OC2=NC=C(C=C2C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC5=NNN=C54)F

InChI

InChI=1S/C26H25FN6O3S/c1-37-19-5-2-4-18(13-19)36-26-21(12-15(27)14-28-26)25(35)30-17-10-8-16(9-11-17)29-24(34)20-6-3-7-22-23(20)32-33-31-22/h2-7,12-14,16-17H,8-11H2,1H3,(H,29,34)(H,30,35)(H,31,32,33)