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

Systemtic Name: 3,6-bis(chloranyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[2-(4-fluorophenyl)-5-benzotriazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide Formula: C21H11Cl2FN4OS MolecularWeight: 457.307643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl)F

Isomeric SMILES

C1=CC(=CC=C1N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl)F

InChI

InChI=1S/C21H11Cl2FN4OS/c22-11-1-7-15-18(9-11)30-20(19(15)23)21(29)25-13-4-8-16-17(10-13)27-28(26-16)14-5-2-12(24)3-6-14/h1-10H,(H,25,29)