2-[3-methylsulfanyl-4-(phenylmethyl)pyrrol-1-yl]phenol

Systemtic Name: 2-[3-methylsulfanyl-4-(phenylmethyl)pyrrol-1-yl]phenol Openeye Name: 2-(3-benzyl-4-methylsulfanyl-pyrrol-1-yl)phenol CAS Name: 2-[3-(methylthio)-4-(phenylmethyl)-1-pyrrolyl]phenol IUPAC Name: 2-(3-benzyl-4-methylsulfanylpyrrol-1-yl)phenol Traditional Name: 2-[3-benzyl-4-(methylthio)pyrrol-1-yl]phenol Formula: C18H17NOS MolecularWeight: 295.39868

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN(C=C1CC2=CC=CC=C2)C3=CC=CC=C3O

Isomeric SMILES

CSC1=CN(C=C1CC2=CC=CC=C2)C3=CC=CC=C3O

InChI

InChI=1S/C18H17NOS/c1-21-18-13-19(16-9-5-6-10-17(16)20)12-15(18)11-14-7-3-2-4-8-14/h2-10,12-13,20H,11H2,1H3