1-(4-ethylphenyl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-ethylphenyl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-ethylphenyl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-ethylphenyl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-ethylphenyl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-ethylphenyl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C27H27N3O2S/c1-3-20-13-15-22(16-14-20)24(31)19-33-27-29-28-26(23-11-7-8-12-25(23)32-2)30(27)18-17-21-9-5-4-6-10-21/h4-16H,3,17-19H2,1-2H3