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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-3-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C18H13Cl2N3OS MolecularWeight: 390.28632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H13Cl2N3OS/c1-23-17(24)16-15(11-4-2-3-5-14(11)21-16)22-18(23)25-9-10-6-7-12(19)13(20)8-10/h2-8,21H,9H2,1H3