(E)-1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]-3-phenyl-prop-2-en-1-one Formula: C20H18N2OS MolecularWeight: 334.43472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C=CC2=CC=CC=C2)C)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C(=O)/C=C/C2=CC=CC=C2)C)SC3=CC=CC=C3

InChI

InChI=1S/C20H18N2OS/c1-15-20(24-18-11-7-4-8-12-18)16(2)22(21-15)19(23)14-13-17-9-5-3-6-10-17/h3-14H,1-2H3/b14-13+