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

Systemtic Name: 3-chloranyl-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]benzothiophene-2-carboxamide Formula: C22H14ClFN4OS MolecularWeight: 436.889163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H14ClFN4OS/c1-12-10-17-18(27-28(26-17)14-8-6-13(24)7-9-14)11-16(12)25-22(29)21-20(23)15-4-2-3-5-19(15)30-21/h2-11H,1H3,(H,25,29)