4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-1-benzothiophene-2-carboxylic acid Openeye Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]benzothiophene-2-carboxylic acid CAS Name: 4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-1-benzothiophene-2-carboxylic acid Traditional Name: 4-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]benzothiophene-2-carboxylic acid Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)O)NCC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)O)NCC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H16N4O2S/c22-9-14-4-6-15(7-5-14)12-25-13-23-10-16(25)11-24-18-2-1-3-19-17(18)8-20(28-19)21(26)27/h1-8,10,13,24H,11-12H2,(H,26,27)