(E)-1-(3-methylphenyl)-3-pyrimidin-2-ylsulfanyl-prop-2-en-1-one

Systemtic Name: (E)-1-(3-methylphenyl)-3-pyrimidin-2-ylsulfanyl-prop-2-en-1-one Openeye Name: (E)-1-(m-tolyl)-3-pyrimidin-2-ylsulfanyl-prop-2-en-1-one CAS Name: (E)-1-(3-methylphenyl)-3-(2-pyrimidinylthio)-2-propen-1-one IUPAC Name: (E)-1-(3-methylphenyl)-3-pyrimidin-2-ylsulfanylprop-2-en-1-one Traditional Name: (E)-1-(m-tolyl)-3-(2-pyrimidylthio)prop-2-en-1-one Formula: C14H12N2OS MolecularWeight: 256.32288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C=CSC2=NC=CC=N2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C=C/SC2=NC=CC=N2

InChI

InChI=1S/C14H12N2OS/c1-11-4-2-5-12(10-11)13(17)6-9-18-14-15-7-3-8-16-14/h2-10H,1H3/b9-6+