2-phenacylsulfanyl-3-(phenylmethyl)-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-9-one

Systemtic Name: 2-phenacylsulfanyl-3-(phenylmethyl)-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-9-one Openeye Name: 3-benzyl-2-phenacylsulfanyl-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-9-one CAS Name: 2-(phenacylthio)-3-(phenylmethyl)-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-9-one IUPAC Name: 3-benzyl-2-phenacylsulfanyl-5,6,7,8-tetrahydrothiochromeno[2,3-d]imidazol-9-one Traditional Name: 3-benzyl-2-(phenacylthio)-5,6,7,8-tetrahydrothiochromen[2,3-d]imidazol-9-one Formula: C25H22N2O2S2 MolecularWeight: 446.58438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)C3=C(S2)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=O)C3=C(S2)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N2O2S2/c28-20(18-11-5-2-6-12-18)16-30-25-26-22-23(29)19-13-7-8-14-21(19)31-24(22)27(25)15-17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2