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

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-2-[(2-methoxyphenyl)sulfanylmethyl]-5-oxidanyl-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-2-[(2-methoxyphenyl)sulfanylmethyl]-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-5-hydroxy-2-[[(2-methoxyphenyl)thio]methyl]-4-(1,2,4-triazol-1-ylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-2-[(2-methoxyphenyl)sulfanylmethyl]-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-5-hydroxy-2-[[(2-methoxyphenyl)thio]methyl]-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C25H25BrN4O4S MolecularWeight: 557.4594

Click to see the large picture

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=C5OC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=NC=N3)O)Br)C4CC4)CSC5=CC=CC=C5OC

InChI

InChI=1S/C25H25BrN4O4S/c1-3-34-25(32)23-19(12-35-21-7-5-4-6-20(21)33-2)30(15-8-9-15)18-10-17(26)24(31)16(22(18)23)11-29-14-27-13-28-29/h4-7,10,13-15,31H,3,8-9,11-12H2,1-2H3