2-[2-[bis(1H-pyrrol-2-yl)methyl]-3-chloranyl-phenyl]sulfanylethanol

Systemtic Name: 2-[2-[bis(1H-pyrrol-2-yl)methyl]-3-chloranyl-phenyl]sulfanylethanol Openeye Name: 2-[2-[bis(1H-pyrrol-2-yl)methyl]-3-chloro-phenyl]sulfanylethanol CAS Name: 2-[[2-[bis(1H-pyrrol-2-yl)methyl]-3-chlorophenyl]thio]ethanol IUPAC Name: 2-[2-[bis(1H-pyrrol-2-yl)methyl]-3-chlorophenyl]sulfanylethanol Traditional Name: 2-[[2-[bis(1H-pyrrol-2-yl)methyl]-3-chloro-phenyl]thio]ethanol Formula: C17H17ClN2OS MolecularWeight: 332.84768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C(C2=CC=CN2)C3=CC=CN3)SCCO

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C(C2=CC=CN2)C3=CC=CN3)SCCO

InChI

InChI=1S/C17H17ClN2OS/c18-12-4-1-7-15(22-11-10-21)16(12)17(13-5-2-8-19-13)14-6-3-9-20-14/h1-9,17,19-21H,10-11H2