3-phenylsulfanyl-4-(1H-pyrrol-2-yl)butan-2-one

Systemtic Name: 3-phenylsulfanyl-4-(1H-pyrrol-2-yl)butan-2-one Openeye Name: 3-phenylsulfanyl-4-(1H-pyrrol-2-yl)butan-2-one CAS Name: 3-(phenylthio)-4-(1H-pyrrol-2-yl)-2-butanone IUPAC Name: 3-phenylsulfanyl-4-(1H-pyrrol-2-yl)butan-2-one Traditional Name: 3-(phenylthio)-4-(1H-pyrrol-2-yl)butan-2-one Formula: C14H15NOS MolecularWeight: 245.34

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CN1)SC2=CC=CC=C2

Isomeric SMILES

CC(=O)C(CC1=CC=CN1)SC2=CC=CC=C2

InChI

InChI=1S/C14H15NOS/c1-11(16)14(10-12-6-5-9-15-12)17-13-7-3-2-4-8-13/h2-9,14-15H,10H2,1H3