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

Systemtic Name: 2-(phenylmethylsulfanyl)-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-(phenylmethylthio)-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C17H12N2OS2 MolecularWeight: 324.41998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2OS2/c20-16-15-14(12-8-4-5-9-13(12)22-15)18-17(19-16)21-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19,20)