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

Systemtic Name: N-(2-aminophenyl)-6-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-6-[[4-(3-thienyl)triazol-1-yl]methyl]benzothiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-6-[[4-(3-thiophenyl)-1-triazolyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-aminophenyl)-6-[(4-thiophen-3-yltriazol-1-yl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-6-[[4-(3-thienyl)triazol-1-yl]methyl]benzothiophene-2-carboxamide Formula: C22H17N5OS2 MolecularWeight: 431.53328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C2=CC3=C(S2)C=C(C=C3)CN4C=C(N=N4)C5=CSC=C5

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC3=C(S2)C=C(C=C3)CN4C=C(N=N4)C5=CSC=C5

InChI

InChI=1S/C22H17N5OS2/c23-17-3-1-2-4-18(17)24-22(28)21-10-15-6-5-14(9-20(15)30-21)11-27-12-19(25-26-27)16-7-8-29-13-16/h1-10,12-13H,11,23H2,(H,24,28)