[2-methyl-1-(2-methylsulfanylethyl)-5-phenyl-pyrrol-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [2-methyl-1-(2-methylsulfanylethyl)-5-phenyl-pyrrol-3-yl]-piperidin-1-yl-methanone Openeye Name: [2-methyl-1-(2-methylsulfanylethyl)-5-phenyl-pyrrol-3-yl]-(1-piperidyl)methanone CAS Name: [2-methyl-1-[2-(methylthio)ethyl]-5-phenyl-3-pyrrolyl]-(1-piperidinyl)methanone IUPAC Name: [2-methyl-1-(2-methylsulfanylethyl)-5-phenylpyrrol-3-yl]-piperidin-1-ylmethanone Traditional Name: [2-methyl-1-[2-(methylthio)ethyl]-5-phenyl-pyrrol-3-yl]-piperidino-methanone Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCSC)C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(N1CCSC)C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C20H26N2OS/c1-16-18(20(23)21-11-7-4-8-12-21)15-19(22(16)13-14-24-2)17-9-5-3-6-10-17/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3