6-[2-(3-chloranyl-4-fluoranyl-phenyl)-1H-pyrrol-3-yl]-1-propan-2-yl-benzotriazole

Systemtic Name: 6-[2-(3-chloranyl-4-fluoranyl-phenyl)-1H-pyrrol-3-yl]-1-propan-2-yl-benzotriazole Openeye Name: 6-[2-(3-chloro-4-fluoro-phenyl)-1H-pyrrol-3-yl]-1-isopropyl-benzotriazole CAS Name: 6-[2-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-1-propan-2-ylbenzotriazole IUPAC Name: 6-[2-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-1-propan-2-ylbenzotriazole Traditional Name: 6-[2-(3-chloro-4-fluoro-phenyl)-1H-pyrrol-3-yl]-1-isopropyl-benzotriazole Formula: C19H16ClFN4 MolecularWeight: 354.808543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=CC(=C2)C3=C(NC=C3)C4=CC(=C(C=C4)F)Cl)N=N1

Isomeric SMILES

CC(C)N1C2=C(C=CC(=C2)C3=C(NC=C3)C4=CC(=C(C=C4)F)Cl)N=N1

InChI

InChI=1S/C19H16ClFN4/c1-11(2)25-18-10-12(4-6-17(18)23-24-25)14-7-8-22-19(14)13-3-5-16(21)15(20)9-13/h3-11,22H,1-2H3