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

Systemtic Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(2,5-dimethyl-3-pyrazolyl)-3-[3-methoxy-4-[(phenylthio)methyl]phenyl]-2-propen-1-one IUPAC Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-[3-methoxy-4-[(phenylthio)methyl]phenyl]prop-2-en-1-one Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)C=CC2=CC(=C(C=C2)CSC3=CC=CC=C3)OC)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)/C=C/C2=CC(=C(C=C2)CSC3=CC=CC=C3)OC)C

InChI

InChI=1S/C22H22N2O2S/c1-16-13-20(24(2)23-16)21(25)12-10-17-9-11-18(22(14-17)26-3)15-27-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3/b12-10+