5-(4-methylphenyl)-2-(2-oxidanylidenepropylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-(2-oxidanylidenepropylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-acetonylsulfanyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-(2-oxopropylthio)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-methylphenyl)-2-(2-oxopropylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(acetonylthio)-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H14N2O2S2 MolecularWeight: 330.42456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)C

InChI

InChI=1S/C16H14N2O2S2/c1-9-3-5-11(6-4-9)12-8-21-15-13(12)14(20)17-16(18-15)22-7-10(2)19/h3-6,8H,7H2,1-2H3,(H,17,18,20)