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

Systemtic Name: ethyl 6-bromanyl-2-[(4-fluorophenyl)sulfinylmethyl]-1-methyl-5-oxidanyl-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-4-(1,2,4-triazol-1-ylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C22H20BrFN4O4S MolecularWeight: 535.386003

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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)C)CS(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=NC=N3)O)Br)C)CS(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20BrFN4O4S/c1-3-32-22(30)20-18(10-33(31)14-6-4-13(24)5-7-14)27(2)17-8-16(23)21(29)15(19(17)20)9-28-12-25-11-26-28/h4-8,11-12,29H,3,9-10H2,1-2H3