1-(4-methoxyphenyl)-2-[[4-(2-methylprop-2-enyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-[[4-(2-methylprop-2-enyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[[4-(2-methylallyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methoxyphenyl)-2-[[4-(2-methylprop-2-enyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[[4-(2-methylprop-2-enyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methoxyphenyl)-2-[[4-(2-methylallyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(=C)CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-15(2)13-24-20(17-7-5-4-6-8-17)22-23-21(24)27-14-19(25)16-9-11-18(26-3)12-10-16/h4-12H,1,13-14H2,2-3H3