(2-methylsulfanyl-1-propyl-pyrrol-3-yl)-phenyl-methanone

Systemtic Name: (2-methylsulfanyl-1-propyl-pyrrol-3-yl)-phenyl-methanone Openeye Name: (2-methylsulfanyl-1-propyl-pyrrol-3-yl)-phenyl-methanone CAS Name: [2-(methylthio)-1-propyl-3-pyrrolyl]-phenylmethanone IUPAC Name: (2-methylsulfanyl-1-propylpyrrol-3-yl)-phenylmethanone Traditional Name: [2-(methylthio)-1-propyl-pyrrol-3-yl]-phenyl-methanone Formula: C15H17NOS MolecularWeight: 259.36658

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC(=C1SC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCN1C=CC(=C1SC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H17NOS/c1-3-10-16-11-9-13(15(16)18-2)14(17)12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3