2,6-bis(4-methylphenyl)-3-phenylsulfanyl-piperidin-4-one

Systemtic Name: 2,6-bis(4-methylphenyl)-3-phenylsulfanyl-piperidin-4-one Openeye Name: 3-phenylsulfanyl-2,6-bis(p-tolyl)piperidin-4-one CAS Name: 2,6-bis(4-methylphenyl)-3-(phenylthio)-4-piperidinone IUPAC Name: 2,6-bis(4-methylphenyl)-3-phenylsulfanylpiperidin-4-one Traditional Name: 3-(phenylthio)-2,6-bis(p-tolyl)-4-piperidone Formula: C25H25NOS MolecularWeight: 387.5371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)C(C(N2)C3=CC=C(C=C3)C)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)C(C(N2)C3=CC=C(C=C3)C)SC4=CC=CC=C4

InChI

InChI=1S/C25H25NOS/c1-17-8-12-19(13-9-17)22-16-23(27)25(28-21-6-4-3-5-7-21)24(26-22)20-14-10-18(2)11-15-20/h3-15,22,24-26H,16H2,1-2H3