2-(3-methylsulfanyl-4-propan-2-ylsulfonyl-pyrrol-1-yl)phenol

Systemtic Name: 2-(3-methylsulfanyl-4-propan-2-ylsulfonyl-pyrrol-1-yl)phenol Openeye Name: 2-(3-isopropylsulfonyl-4-methylsulfanyl-pyrrol-1-yl)phenol CAS Name: 2-[3-(methylthio)-4-propan-2-ylsulfonyl-1-pyrrolyl]phenol IUPAC Name: 2-(3-methylsulfanyl-4-propan-2-ylsulfonylpyrrol-1-yl)phenol Traditional Name: 2-[3-isopropylsulfonyl-4-(methylthio)pyrrol-1-yl]phenol Formula: C14H17NO3S2 MolecularWeight: 311.41968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CN(C=C1SC)C2=CC=CC=C2O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CN(C=C1SC)C2=CC=CC=C2O

InChI

InChI=1S/C14H17NO3S2/c1-10(2)20(17,18)14-9-15(8-13(14)19-3)11-6-4-5-7-12(11)16/h4-10,16H,1-3H3