3-[4-ethoxy-1-(4-methylphenyl)pyrrol-2-yl]-2,3-dimethyl-butane-2-thiol

Systemtic Name: 3-[4-ethoxy-1-(4-methylphenyl)pyrrol-2-yl]-2,3-dimethyl-butane-2-thiol Openeye Name: 3-[4-ethoxy-1-(p-tolyl)pyrrol-2-yl]-2,3-dimethyl-butane-2-thiol CAS Name: 3-[4-ethoxy-1-(4-methylphenyl)-2-pyrrolyl]-2,3-dimethyl-2-butanethiol IUPAC Name: 3-[4-ethoxy-1-(4-methylphenyl)pyrrol-2-yl]-2,3-dimethylbutane-2-thiol Traditional Name: 3-[4-ethoxy-1-(p-tolyl)pyrrol-2-yl]-2,3-dimethyl-butane-2-thiol Formula: C19H27NOS MolecularWeight: 317.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN(C(=C1)C(C)(C)C(C)(C)S)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=CN(C(=C1)C(C)(C)C(C)(C)S)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H27NOS/c1-7-21-16-12-17(18(3,4)19(5,6)22)20(13-16)15-10-8-14(2)9-11-15/h8-13,22H,7H2,1-6H3