2-[(2-phenacylsulfanyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[(2-phenacylsulfanyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(2-phenacylsulfanyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[2-(phenacylthio)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]thio]-1-phenylethanone IUPAC Name: 2-[(2-phenacylsulfanyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[[2-(phenacylthio)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]indol-4-yl]thio]-1-phenyl-ethanone Formula: C26H23N3O2S2 MolecularWeight: 473.60972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N2)N=C(N=C3SCC(=O)C4=CC=CC=C4)SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C3=C(N2)N=C(N=C3SCC(=O)C4=CC=CC=C4)SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O2S2/c30-21(17-9-3-1-4-10-17)15-32-25-23-19-13-7-8-14-20(19)27-24(23)28-26(29-25)33-16-22(31)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,27,28,29)