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

Systemtic Name: 2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-allyl-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-allyl-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

InChI

InChI=1S/C22H19N3O3S/c1-3-12-25-21(27)20-19(16-6-4-5-7-17(16)23-20)24-22(25)29-13-18(26)14-8-10-15(28-2)11-9-14/h3-11,23H,1,12-13H2,2H3