2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-3-(p-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C25H18ClN3O2S MolecularWeight: 459.94732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H18ClN3O2S/c1-15-6-12-18(13-7-15)29-24(31)23-22(19-4-2-3-5-20(19)27-23)28-25(29)32-14-21(30)16-8-10-17(26)11-9-16/h2-13,27H,14H2,1H3