[2-[2,4-bis(fluoranyl)phenyl]-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-yl]oxymethyl 2-(chloromethyl)benzoate

Systemtic Name: [2-[2,4-bis(fluoranyl)phenyl]-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-yl]oxymethyl 2-(chloromethyl)benzoate Openeye Name: [2-[4-(4-cyanophenyl)thiazol-2-yl]-1-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propoxy]methyl 2-(chloromethyl)benzoate CAS Name: 2-(chloromethyl)benzoic acid [3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxymethyl ester IUPAC Name: [3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxymethyl 2-(chloromethyl)benzoate Traditional Name: 2-(chloromethyl)benzoic acid [2-[4-(4-cyanophenyl)thiazol-2-yl]-1-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propoxy]methyl ester Formula: C31H24ClF2N5O3S MolecularWeight: 620.068766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)OCOC(=O)C5=CC=CC=C5CCl

Isomeric SMILES

CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)OCOC(=O)C5=CC=CC=C5CCl

InChI

InChI=1S/C31H24ClF2N5O3S/c1-20(29-38-28(15-43-29)22-8-6-21(14-35)7-9-22)31(16-39-18-36-17-37-39,26-11-10-24(33)12-27(26)34)42-19-41-30(40)25-5-3-2-4-23(25)13-32/h2-12,15,17-18,20H,13,16,19H2,1H3