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

Systemtic Name: 8-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 8-[[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 8-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 8-[[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C27H24N4OS MolecularWeight: 452.57066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H24N4OS/c1-32-24-15-6-5-14-23(24)26-29-30-27(31(26)18-16-20-9-3-2-4-10-20)33-19-22-12-7-11-21-13-8-17-28-25(21)22/h2-15,17H,16,18-19H2,1H3