3-(4-chloranyl-3-methyl-phenyl)-2-(phenylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(4-chloranyl-3-methyl-phenyl)-2-(phenylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-(4-chloro-3-methyl-phenyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(4-chloro-3-methylphenyl)-2-(phenylmethylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-benzylsulfanyl-3-(4-chloro-3-methylphenyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-3-(4-chloro-3-methyl-phenyl)thieno[3,2-d]pyrimidin-4-one Formula: C20H15ClN2OS2 MolecularWeight: 398.9289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C3=C(C=CS3)N=C2SCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C3=C(C=CS3)N=C2SCC4=CC=CC=C4)Cl

InChI

InChI=1S/C20H15ClN2OS2/c1-13-11-15(7-8-16(13)21)23-19(24)18-17(9-10-25-18)22-20(23)26-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3