methyl 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]imidazol-4-yl]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]imidazol-4-yl]thiophene-3-carboxylate Openeye Name: methyl 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]imidazol-4-yl]thiophene-3-carboxylate CAS Name: 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-imidazolyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]imidazol-4-yl]thiophene-3-carboxylate Traditional Name: 2-[2-butyl-3-[4-(2-cyanophenyl)benzyl]imidazol-4-yl]thiophene-3-carboxylic acid methyl ester Formula: C27H25N3O2S MolecularWeight: 455.5713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=C(C=CS4)C(=O)OC

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=C(C=CS4)C(=O)OC

InChI

InChI=1S/C27H25N3O2S/c1-3-4-9-25-29-17-24(26-23(14-15-33-26)27(31)32-2)30(25)18-19-10-12-20(13-11-19)22-8-6-5-7-21(22)16-28/h5-8,10-15,17H,3-4,9,18H2,1-2H3