[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 3-phenylmethoxybenzoate

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 3-phenylmethoxybenzoate Openeye Name: [2-[4-(4-cyanophenyl)thiazol-2-yl]-1-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propoxy]methyl 3-benzyloxybenzoate CAS Name: 3-phenylmethoxybenzoic 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 3-phenylmethoxybenzoate Traditional Name: 3-benzoxybenzoic acid [2-[4-(4-cyanophenyl)thiazol-2-yl]-1-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propoxy]methyl ester Formula: C37H29F2N5O4S MolecularWeight: 677.719066

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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=C5)OCC6=CC=CC=C6

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=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C37H29F2N5O4S/c1-25(35-43-34(20-49-35)28-12-10-26(18-40)11-13-28)37(21-44-23-41-22-42-44,32-15-14-30(38)17-33(32)39)48-24-47-36(45)29-8-5-9-31(16-29)46-19-27-6-3-2-4-7-27/h2-17,20,22-23,25H,19,21,24H2,1H3