2-[2,4-bis(fluoranyl)phenyl]-3-(4-methylsulfonylpiperazin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-3-(4-methylsulfonylpiperazin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 2-(2,4-difluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 2-(2,4-difluorophenyl)-3-(4-methylsulfonyl-1-piperazinyl)-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 2-(2,4-difluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 2-(2,4-difluorophenyl)-3-(4-mesylpiperazino)-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C17H23F2N5O3S MolecularWeight: 415.458026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H23F2N5O3S/c1-13(22-5-7-24(8-6-22)28(2,26)27)17(25,10-23-12-20-11-21-23)15-4-3-14(18)9-16(15)19/h3-4,9,11-13,25H,5-8,10H2,1-2H3