methyl 2-[4-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-sulfanyl-piperidin-3-ylidene]methyl]-1,2,3-triazol-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-sulfanyl-piperidin-3-ylidene]methyl]-1,2,3-triazol-1-yl]ethanoate Openeye Name: methyl 2-[4-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-sulfanyl-3-piperidylidene]methyl]triazol-1-yl]acetate CAS Name: 2-[4-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-mercapto-3-piperidinylidene]methyl]-1-triazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]triazol-1-yl]acetate Traditional Name: 2-[4-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-4-mercapto-3-piperidylidene]methyl]triazol-1-yl]acetic acid methyl ester Formula: C22H25FN4O3S MolecularWeight: 444.522303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=C(N=N1)C=C2CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4

Isomeric SMILES

COC(=O)CN1C=C(N=N1)/C=C/2\CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4

InChI

InChI=1S/C22H25FN4O3S/c1-30-20(28)13-27-12-16(24-25-27)10-15-11-26(9-8-19(15)31)21(22(29)14-6-7-14)17-4-2-3-5-18(17)23/h2-5,10,12,14,19,21,31H,6-9,11,13H2,1H3/b15-10+