[4-[1-[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] benzoate

Systemtic Name: [4-[1-[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] benzoate Openeye Name: [4-[1-[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] benzoate CAS Name: benzoic acid [4-[1-[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] ester IUPAC Name: [4-[1-[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] benzoate Traditional Name: benzoic acid [4-[1-[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] ester Formula: C27H22F2N6O3S MolecularWeight: 548.563786

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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)OC(=O)C5=CC=CC=C5

Isomeric 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)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H22F2N6O3S/c1-18(27(37,14-33-16-30-15-31-33)23-12-7-20(28)13-24(23)29)35-26(39)34(17-32-35)21-8-10-22(11-9-21)38-25(36)19-5-3-2-4-6-19/h2-13,15-18,37H,14H2,1H3