N-(2-aminophenyl)-6-[[4-(3-methylimidazol-4-yl)-1,2,3-triazol-1-yl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-6-[[4-(3-methylimidazol-4-yl)-1,2,3-triazol-1-yl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-6-[[4-(3-methylimidazol-4-yl)triazol-1-yl]methyl]benzothiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-6-[[4-(3-methyl-4-imidazolyl)-1-triazolyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-aminophenyl)-6-[[4-(3-methylimidazol-4-yl)triazol-1-yl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-6-[[4-(3-methylimidazol-4-yl)triazol-1-yl]methyl]benzothiophene-2-carboxamide Formula: C22H19N7OS MolecularWeight: 429.49756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2=CN(N=N2)CC3=CC4=C(C=C3)C=C(S4)C(=O)NC5=CC=CC=C5N

Isomeric SMILES

CN1C=NC=C1C2=CN(N=N2)CC3=CC4=C(C=C3)C=C(S4)C(=O)NC5=CC=CC=C5N

InChI

InChI=1S/C22H19N7OS/c1-28-13-24-10-19(28)18-12-29(27-26-18)11-14-6-7-15-9-21(31-20(15)8-14)22(30)25-17-5-3-2-4-16(17)23/h2-10,12-13H,11,23H2,1H3,(H,25,30)