(E)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(2,5-dimethyl-3-pyrazolyl)-3-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-2-propen-1-one IUPAC Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]prop-2-en-1-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)C=CC2=CC(=C(C=C2)OC)CSC3=CC=CC=N3)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3)C

InChI

InChI=1S/C21H21N3O2S/c1-15-12-18(24(2)23-15)19(25)9-7-16-8-10-20(26-3)17(13-16)14-27-21-6-4-5-11-22-21/h4-13H,14H2,1-3H3/b9-7+