2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoranyl-4-methoxy-phenyl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C19H17FN4O2S MolecularWeight: 384.427283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4)F

InChI

InChI=1S/C19H17FN4O2S/c1-26-17-7-4-12(9-15(17)20)16(25)11-27-19-23-22-18(24(19)14-5-6-14)13-3-2-8-21-10-13/h2-4,7-10,14H,5-6,11H2,1H3