methyl 2-[4-[1-[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[1-[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]ethanoate Openeye Name: methyl 2-[4-[1-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-5-thioxo-1,2,4-triazol-4-yl]phenyl]acetate CAS Name: 2-[4-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]acetate Traditional Name: 2-[4-[1-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-5-thioxo-1,2,4-triazol-4-yl]phenyl]acetic acid methyl ester Formula: C23H22F2N6O3S MolecularWeight: 500.520986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C(=S)N(C=N3)C4=CC=C(C=C4)CC(=O)OC

Isomeric SMILES

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C(=S)N(C=N3)C4=CC=C(C=C4)CC(=O)OC

InChI

InChI=1S/C23H22F2N6O3S/c1-15(23(33,11-29-13-26-12-27-29)19-8-5-17(24)10-20(19)25)31-22(35)30(14-28-31)18-6-3-16(4-7-18)9-21(32)34-2/h3-8,10,12-15,33H,9,11H2,1-2H3/t15-,23-/m1/s1