[4-[(4-methylphenyl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-(p-tolylsulfanylmethyl)phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(4-methylphenyl)thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[(p-tolylthio)methyl]phenyl]-pyrrolidino-methanone Formula: C19H21NOS MolecularWeight: 311.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C19H21NOS/c1-15-4-10-18(11-5-15)22-14-16-6-8-17(9-7-16)19(21)20-12-2-3-13-20/h4-11H,2-3,12-14H2,1H3