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

Systemtic Name: 2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-3-(o-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-3-(o-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H21N3O3S/c1-16-7-3-6-10-21(16)29-25(31)24-23(19-8-4-5-9-20(19)27-24)28-26(29)33-15-22(30)17-11-13-18(32-2)14-12-17/h3-14,27H,15H2,1-2H3