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

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-allyl-2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-allyl-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN3O2S/c1-2-11-25-20(27)19-18(15-5-3-4-6-16(15)23-19)24-21(25)28-12-17(26)13-7-9-14(22)10-8-13/h2-10,23H,1,11-12H2