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

Systemtic Name: 1-(4-methoxy-2,5-dimethyl-phenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-2,5-dimethyl-phenyl)ethanone CAS Name: 1-(4-methoxy-2,5-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-methoxy-2,5-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxy-2,5-dimethyl-phenyl)ethanone Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C)OC

InChI

InChI=1S/C21H22N4O2S/c1-5-10-25-20(16-6-8-22-9-7-16)23-24-21(25)28-13-18(26)17-11-15(3)19(27-4)12-14(17)2/h5-9,11-12H,1,10,13H2,2-4H3