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

Systemtic Name: 3,6-bis(chloranyl)-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]benzothiophene-2-carboxamide Formula: C22H13Cl2FN4OS MolecularWeight: 471.334223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H13Cl2FN4OS/c1-11-8-17-18(28-29(27-17)14-5-3-13(25)4-6-14)10-16(11)26-22(30)21-20(24)15-7-2-12(23)9-19(15)31-21/h2-10H,1H3,(H,26,30)