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

Systemtic Name: 2-phenacylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-phenacylsulfanyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(phenacylthio)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-phenacylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(phenacylthio)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C18H16N2O2S2 MolecularWeight: 356.46184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O2S2/c21-13(11-6-2-1-3-7-11)10-23-18-19-16(22)15-12-8-4-5-9-14(12)24-17(15)20-18/h1-3,6-7H,4-5,8-10H2,(H,19,20,22)