4-[5-[(4-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-phenyl-quinoline

Systemtic Name: 4-[5-[(4-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-phenyl-quinoline Openeye Name: 4-[4-allyl-5-[(4-chloro-2-fluoro-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-quinoline CAS Name: 4-[5-[(4-chloro-2-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-phenylquinoline IUPAC Name: 4-[5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-phenylquinoline Traditional Name: 4-[4-allyl-5-[(4-chloro-2-fluoro-benzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-quinoline Formula: C27H20ClFN4S MolecularWeight: 486.990903

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=C(C=C(C=C2)Cl)F)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=C(C=C(C=C2)Cl)F)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H20ClFN4S/c1-2-14-33-26(31-32-27(33)34-17-19-12-13-20(28)15-23(19)29)22-16-25(18-8-4-3-5-9-18)30-24-11-7-6-10-21(22)24/h2-13,15-16H,1,14,17H2