N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[2-(4-ethylphenyl)-6-methyl-5-benzotriazolyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]piazthiole-5-carboxamide Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC5=NSN=C5C=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC5=NSN=C5C=C4)C

InChI

InChI=1S/C22H18N6OS/c1-3-14-4-7-16(8-5-14)28-24-19-10-13(2)18(12-20(19)25-28)23-22(29)15-6-9-17-21(11-15)27-30-26-17/h4-12H,3H2,1-2H3,(H,23,29)