2-ethylsulfanyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide

Systemtic Name: 2-ethylsulfanyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide Openeye Name: N-[1-(2-benzyloxyethyl)pyrazol-4-yl]-2-ethylsulfanyl-pyridine-3-carboxamide CAS Name: 2-(ethylthio)-N-[1-(2-phenylmethoxyethyl)-4-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 2-ethylsulfanyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide Traditional Name: N-[1-(2-benzoxyethyl)pyrazol-4-yl]-2-(ethylthio)nicotinamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)NC2=CN(N=C2)CCOCC3=CC=CC=C3

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)NC2=CN(N=C2)CCOCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-2-27-20-18(9-6-10-21-20)19(25)23-17-13-22-24(14-17)11-12-26-15-16-7-4-3-5-8-16/h3-10,13-14H,2,11-12,15H2,1H3,(H,23,25)