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

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-3-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C19H14ClN3O2S MolecularWeight: 383.85136

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H14ClN3O2S/c1-23-18(25)17-16(13-4-2-3-5-14(13)21-17)22-19(23)26-10-15(24)11-6-8-12(20)9-7-11/h2-9,21H,10H2,1H3