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

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-fluoranyl-2-methoxy-phenyl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-fluoro-2-methoxy-phenyl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-(5-fluoro-2-methoxyphenyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-fluoro-2-methoxyphenyl)ethanone Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-1-(5-fluoro-2-methoxy-phenyl)ethanone Formula: C19H23FN4O2S MolecularWeight: 390.474923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C19H23FN4O2S/c1-26-17-8-5-13(20)11-15(17)16(25)12-27-19-22-21-18(24(19)14-6-7-14)23-9-3-2-4-10-23/h5,8,11,14H,2-4,6-7,9-10,12H2,1H3