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

Systemtic Name: 3,6-bis(chloranyl)-N-[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[2-(3-chloro-4-methylphenyl)-5-benzotriazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide Formula: C22H13Cl3N4OS MolecularWeight: 487.78882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl)Cl

InChI

InChI=1S/C22H13Cl3N4OS/c1-11-2-5-14(10-16(11)24)29-27-17-7-4-13(9-18(17)28-29)26-22(30)21-20(25)15-6-3-12(23)8-19(15)31-21/h2-10H,1H3,(H,26,30)