methyl 2-[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]ethanoate

Systemtic Name: methyl 2-[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]ethanoate Openeye Name: methyl 2-[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]acetate CAS Name: 2-[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]acetic acid methyl ester IUPAC Name: methyl 2-[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]acetate Traditional Name: 2-[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]acetic acid methyl ester Formula: C17H18F2N6O3S MolecularWeight: 424.425026

Click to see the large picture

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)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)CC(=O)OC

InChI

InChI=1S/C17H18F2N6O3S/c1-11(25-16(29)23(10-22-25)6-15(26)28-2)17(27,7-24-9-20-8-21-24)13-4-3-12(18)5-14(13)19/h3-5,8-11,27H,6-7H2,1-2H3/t11-,17-/m1/s1