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

Systemtic Name: 3,6-bis(chloranyl)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[6-methyl-2-(p-tolyl)benzotriazol-5-yl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[6-methyl-2-(p-tolyl)benzotriazol-5-yl]benzothiophene-2-carboxamide Formula: C23H16Cl2N4OS MolecularWeight: 467.37034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16Cl2N4OS/c1-12-3-6-15(7-4-12)29-27-18-9-13(2)17(11-19(18)28-29)26-23(30)22-21(25)16-8-5-14(24)10-20(16)31-22/h3-11H,1-2H3,(H,26,30)