5-(hydroxymethyl)-2-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]ethylamino]methylidene]pyridin-3-one

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]ethylamino]methylidene]pyridin-3-one Openeye Name: 5-(hydroxymethyl)-2-methyl-4-[[2-(p-tolylmethylsulfanyl)ethylamino]methylene]pyridin-3-one CAS Name: 5-(hydroxymethyl)-2-methyl-4-[[2-[(4-methylphenyl)methylthio]ethylamino]methylidene]-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]ethylamino]methylidene]pyridin-3-one Traditional Name: 2-methyl-4-[[2-[(4-methylbenzyl)thio]ethylamino]methylene]-5-methylol-pyridin-3-one Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC=C2C(=CN=C(C2=O)C)CO

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC=C2C(=CN=C(C2=O)C)CO

InChI

InChI=1S/C18H22N2O2S/c1-13-3-5-15(6-4-13)12-23-8-7-19-10-17-16(11-21)9-20-14(2)18(17)22/h3-6,9-10,19,21H,7-8,11-12H2,1-2H3