ethyl 6-bromanyl-1-cyclopropyl-5-oxidanyl-2-(pyridin-2-ylsulfanylmethyl)-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-5-oxidanyl-2-(pyridin-2-ylsulfanylmethyl)-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-2-(2-pyridylsulfanylmethyl)-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-5-hydroxy-2-[(2-pyridinylthio)methyl]-4-(1,2,4-triazol-1-ylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-2-(pyridin-2-ylsulfanylmethyl)-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-5-hydroxy-2-[(2-pyridylthio)methyl]-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C23H22BrN5O3S MolecularWeight: 528.42148

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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)CSC5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=NC=N3)O)Br)C4CC4)CSC5=CC=CC=N5

InChI

InChI=1S/C23H22BrN5O3S/c1-2-32-23(31)21-18(11-33-19-5-3-4-8-26-19)29(14-6-7-14)17-9-16(24)22(30)15(20(17)21)10-28-13-25-12-27-28/h3-5,8-9,12-14,30H,2,6-7,10-11H2,1H3