2-(2-methylphenyl)-2-(3-sulfanylpyrrolidin-1-yl)ethanal

Systemtic Name: 2-(2-methylphenyl)-2-(3-sulfanylpyrrolidin-1-yl)ethanal Openeye Name: 2-(o-tolyl)-2-(3-sulfanylpyrrolidin-1-yl)acetaldehyde CAS Name: 2-(3-mercapto-1-pyrrolidinyl)-2-(2-methylphenyl)acetaldehyde IUPAC Name: 2-(2-methylphenyl)-2-(3-sulfanylpyrrolidin-1-yl)acetaldehyde Traditional Name: 2-(3-mercaptopyrrolidino)-2-(o-tolyl)acetaldehyde Formula: C13H17NOS MolecularWeight: 235.34518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C=O)N2CCC(C2)S

Isomeric SMILES

CC1=CC=CC=C1C(C=O)N2CCC(C2)S

InChI

InChI=1S/C13H17NOS/c1-10-4-2-3-5-12(10)13(9-15)14-7-6-11(16)8-14/h2-5,9,11,13,16H,6-8H2,1H3