N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-3,6-dichloro-benzothiophene-2-carboxamide CAS Name: N-[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]-3,6-dichloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-3,6-dichloro-benzothiophene-2-carboxamide Formula: C25H19Cl3N4OS MolecularWeight: 529.86856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C25H19Cl3N4OS/c1-2-3-4-14-5-8-16(9-6-14)32-30-20-12-18(27)19(13-21(20)31-32)29-25(33)24-23(28)17-10-7-15(26)11-22(17)34-24/h5-13H,2-4H2,1H3,(H,29,33)