2-[(4-methylphenyl)methylsulfanyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-(p-tolylmethylsulfanyl)-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-[(4-methylphenyl)methylthio]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-methylbenzyl)thio]-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C18H14N2OS2 MolecularWeight: 338.44656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)C4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)C4=CC=CC=C4S3

InChI

InChI=1S/C18H14N2OS2/c1-11-6-8-12(9-7-11)10-22-18-19-15-13-4-2-3-5-14(13)23-16(15)17(21)20-18/h2-9H,10H2,1H3,(H,19,20,21)