2-chloranyl-3-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 2-chloranyl-3-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 3-[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-chloro-quinoline CAS Name: 2-chloro-3-[[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 2-chloro-3-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 3-[[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-chloro-quinoline Formula: C21H16ClFN4S MolecularWeight: 410.894943

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC3=CC=CC=C3N=C2Cl)C4=CC=C(C=C4)F

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC3=CC=CC=C3N=C2Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16ClFN4S/c1-2-11-27-20(14-7-9-17(23)10-8-14)25-26-21(27)28-13-16-12-15-5-3-4-6-18(15)24-19(16)22/h2-10,12H,1,11,13H2