N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(3-phenylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(3-phenylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(3-phenylpropyl)triazole-4-carboxamide CAS Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(3-phenylpropyl)-4-triazolecarboxamide IUPAC Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(3-phenylpropyl)triazole-4-carboxamide Traditional Name: 1-(3-phenylpropyl)-N-(piazthiol-5-ylmethyl)triazole-4-carboxamide Formula: C19H18N6OS MolecularWeight: 378.45082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C=C(N=N2)C(=O)NCC3=CC4=NSN=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C=C(N=N2)C(=O)NCC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C19H18N6OS/c26-19(20-12-15-8-9-16-17(11-15)23-27-22-16)18-13-25(24-21-18)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13H,4,7,10,12H2,(H,20,26)