2-phenylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-phenylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-phenylsulfanyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(phenylthio)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-phenylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(phenylthio)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C16H14N2OS2 MolecularWeight: 314.42516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SC4=CC=CC=C4

InChI

InChI=1S/C16H14N2OS2/c19-14-13-11-8-4-5-9-12(11)21-15(13)18-16(17-14)20-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,18,19)