5-chloranyl-8-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 5-chloranyl-8-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-chloro-quinoline CAS Name: 5-chloro-8-[[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 5-chloro-8-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 8-[[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-5-chloro-quinoline Formula: C22H19ClN4OS MolecularWeight: 422.93046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=C4C(=C(C=C3)Cl)C=CC=N4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=C4C(=C(C=C3)Cl)C=CC=N4

InChI

InChI=1S/C22H19ClN4OS/c1-3-13-27-21(17-7-4-5-9-19(17)28-2)25-26-22(27)29-14-15-10-11-18(23)16-8-6-12-24-20(15)16/h3-12H,1,13-14H2,2H3