2-phenacylsulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-phenacylsulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-allyl-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(phenacylthio)-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-phenacylsulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-allyl-2-(phenacylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2S/c1-2-12-24-20(26)19-18(15-10-6-7-11-16(15)22-19)23-21(24)27-13-17(25)14-8-4-3-5-9-14/h2-11,22H,1,12-13H2