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

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-2-[(3-methoxyphenyl)sulfinylmethyl]-5-oxidanyl-4-(1,2,3-triazol-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-2-[(3-methoxyphenyl)sulfinylmethyl]-4-(triazol-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-5-hydroxy-2-[(3-methoxyphenyl)sulfinylmethyl]-4-(1-triazolylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-2-[(3-methoxyphenyl)sulfinylmethyl]-4-(triazol-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-5-hydroxy-2-[(3-methoxyphenyl)sulfinylmethyl]-4-(triazol-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C25H25BrN4O5S MolecularWeight: 573.4588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=N3)O)Br)C4CC4)CS(=O)C5=CC=CC(=C5)OC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=N3)O)Br)C4CC4)CS(=O)C5=CC=CC(=C5)OC

InChI

InChI=1S/C25H25BrN4O5S/c1-3-35-25(32)23-21(14-36(33)17-6-4-5-16(11-17)34-2)30(15-7-8-15)20-12-19(26)24(31)18(22(20)23)13-29-10-9-27-28-29/h4-6,9-12,15,31H,3,7-8,13-14H2,1-2H3