2-[2-(2-chlorophenyl)-5-methyl-pyrrol-1-yl]ethanethiol

Systemtic Name: 2-[2-(2-chlorophenyl)-5-methyl-pyrrol-1-yl]ethanethiol Openeye Name: 2-[2-(2-chlorophenyl)-5-methyl-pyrrol-1-yl]ethanethiol CAS Name: 2-[2-(2-chlorophenyl)-5-methyl-1-pyrrolyl]ethanethiol IUPAC Name: 2-[2-(2-chlorophenyl)-5-methylpyrrol-1-yl]ethanethiol Traditional Name: 2-[2-(2-chlorophenyl)-5-methyl-pyrrol-1-yl]ethanethiol Formula: C13H14ClNS MolecularWeight: 251.77496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CCS)C2=CC=CC=C2Cl

Isomeric SMILES

CC1=CC=C(N1CCS)C2=CC=CC=C2Cl

InChI

InChI=1S/C13H14ClNS/c1-10-6-7-13(15(10)8-9-16)11-4-2-3-5-12(11)14/h2-7,16H,8-9H2,1H3