ethyl 6-bromanyl-1-cyclopropyl-2-[(2-fluorophenyl)methylsulfanylmethyl]-5-oxidanyl-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-2-[(2-fluorophenyl)methylsulfanylmethyl]-5-oxidanyl-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-2-[(2-fluorophenyl)methylsulfanylmethyl]-5-hydroxy-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-2-[[(2-fluorophenyl)methylthio]methyl]-5-hydroxy-4-(1,2,4-triazol-1-ylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-2-[(2-fluorophenyl)methylsulfanylmethyl]-5-hydroxy-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-2-[[(2-fluorobenzyl)thio]methyl]-5-hydroxy-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C25H24BrFN4O3S MolecularWeight: 559.450463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=NC=N3)O)Br)C4CC4)CSCC5=CC=CC=C5F

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=NC=N3)O)Br)C4CC4)CSCC5=CC=CC=C5F

InChI

InChI=1S/C25H24BrFN4O3S/c1-2-34-25(33)23-21(12-35-11-15-5-3-4-6-19(15)27)31(16-7-8-16)20-9-18(26)24(32)17(22(20)23)10-30-14-28-13-29-30/h3-6,9,13-14,16,32H,2,7-8,10-12H2,1H3