(E)-3-(4-methylsulfanylphenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-methylsulfanylphenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-methylsulfanylphenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one CAS Name: (E)-3-[4-(methylthio)phenyl]-1-(1H-pyrrol-2-yl)-2-propen-1-one IUPAC Name: (E)-3-(4-methylsulfanylphenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-(methylthio)phenyl]-1-(1H-pyrrol-2-yl)prop-2-en-1-one Formula: C14H13NOS MolecularWeight: 243.32412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)C2=CC=CN2

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CN2

InChI

InChI=1S/C14H13NOS/c1-17-12-7-4-11(5-8-12)6-9-14(16)13-3-2-10-15-13/h2-10,15H,1H3/b9-6+