2-[[3-(2-fluorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[3-(2-fluorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetonitrile IUPAC Name: 2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[3-(2-fluorophenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]acetonitrile Formula: C18H11FN4OS MolecularWeight: 350.369543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4F

InChI

InChI=1S/C18H11FN4OS/c19-12-6-2-4-8-14(12)23-17(24)16-15(22-18(23)25-10-9-20)11-5-1-3-7-13(11)21-16/h1-8,21H,10H2