3-ethyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-ethyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(E)-cinnamyl]sulfanyl-3-ethyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-ethyl-2-[[(E)-3-phenylprop-2-enyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-ethyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[(E)-cinnamyl]thio]-3-ethyl-5H-pyrimid[5,4-b]indol-4-one Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC=CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H19N3OS/c1-2-24-20(25)19-18(16-12-6-7-13-17(16)22-19)23-21(24)26-14-8-11-15-9-4-3-5-10-15/h3-13,22H,2,14H2,1H3/b11-8+