1-(2,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone CAS Name: 1-(2,5-dimethoxyphenyl)-2-[[4-prop-2-enyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethoxyphenyl)ethanone Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=N3

InChI

InChI=1S/C20H20N4O3S/c1-4-11-24-19(16-7-5-6-10-21-16)22-23-20(24)28-13-17(25)15-12-14(26-2)8-9-18(15)27-3/h4-10,12H,1,11,13H2,2-3H3