2-[(2-chlorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2-chlorobenzyl)thio]-3-(4-methoxyphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C24H18ClN3O2S MolecularWeight: 447.93662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=CC=C5Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=CC=C5Cl

InChI

InChI=1S/C24H18ClN3O2S/c1-30-17-12-10-16(11-13-17)28-23(29)22-21(18-7-3-5-9-20(18)26-22)27-24(28)31-14-15-6-2-4-8-19(15)25/h2-13,26H,14H2,1H3