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

Systemtic Name: ethyl 6-bromanyl-1-methyl-2-[(3-methylphenyl)sulfinylmethyl]-5-oxidanyl-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-(m-tolylsulfinylmethyl)-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-2-[(3-methylphenyl)sulfinylmethyl]-4-(1,2,4-triazol-1-ylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-[(3-methylphenyl)sulfinylmethyl]-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-2-(m-tolylsulfinylmethyl)-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C23H23BrN4O4S MolecularWeight: 531.42212

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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=CC(=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrN4O4S/c1-4-32-23(30)21-19(11-33(31)15-7-5-6-14(2)8-15)27(3)18-9-17(24)22(29)16(20(18)21)10-28-13-25-12-26-28/h5-9,12-13,29H,4,10-11H2,1-3H3