3-[(4-methylphenyl)methyl]-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-phenacylsulfanyl-3-(p-tolylmethyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-(phenacylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-[(4-methylphenyl)methyl]-2-phenacylsulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(4-methylbenzyl)-2-(phenacylthio)thieno[3,2-d]pyrimidin-4-one Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O2S2/c1-15-7-9-16(10-8-15)13-24-21(26)20-18(11-12-27-20)23-22(24)28-14-19(25)17-5-3-2-4-6-17/h2-12H,13-14H2,1H3