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

Systemtic Name: 3-(2-fluorophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(E)-cinnamyl]sulfanyl-3-(2-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-fluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-fluorophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[(E)-cinnamyl]thio]-3-(2-fluorophenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C25H18FN3OS MolecularWeight: 427.493323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NC3=C(C(=O)N2C4=CC=CC=C4F)NC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSC2=NC3=C(C(=O)N2C4=CC=CC=C4F)NC5=CC=CC=C53

InChI

InChI=1S/C25H18FN3OS/c26-19-13-5-7-15-21(19)29-24(30)23-22(18-12-4-6-14-20(18)27-23)28-25(29)31-16-8-11-17-9-2-1-3-10-17/h1-15,27H,16H2/b11-8+