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

Systemtic Name: 3,6-bis(chloranyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[2-(p-tolyl)benzotriazol-5-yl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[2-(4-methylphenyl)-5-benzotriazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[2-(4-methylphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[2-(p-tolyl)benzotriazol-5-yl]benzothiophene-2-carboxamide Formula: C22H14Cl2N4OS MolecularWeight: 453.34376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14Cl2N4OS/c1-12-2-6-15(7-3-12)28-26-17-9-5-14(11-18(17)27-28)25-22(29)21-20(24)16-8-4-13(23)10-19(16)30-21/h2-11H,1H3,(H,25,29)