2-(3,4-dimethylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[(3,4-dimethylphenyl)thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(3,4-dimethylphenyl)thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C14H15NOS MolecularWeight: 245.34

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)C2=CC=CN2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)C2=CC=CN2)C

InChI

InChI=1S/C14H15NOS/c1-10-5-6-12(8-11(10)2)17-9-14(16)13-4-3-7-15-13/h3-8,15H,9H2,1-2H3