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

Systemtic Name: 2-phenethylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-phenethylsulfanyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(phenethylthio)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-phenethylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(phenethylthio)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C18H18N2OS2 MolecularWeight: 342.47832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCCC4=CC=CC=C4

InChI

InChI=1S/C18H18N2OS2/c21-16-15-13-8-4-5-9-14(13)23-17(15)20-18(19-16)22-11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,19,20,21)