2-(4-fluorophenyl)-3-oxidanylidene-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile

Systemtic Name: 2-(4-fluorophenyl)-3-oxidanylidene-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Openeye Name: 2-(4-fluorophenyl)-3-oxo-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile CAS Name: 2-(4-fluorophenyl)-3-oxo-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile IUPAC Name: 2-(4-fluorophenyl)-3-oxo-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Traditional Name: 2-(4-fluorophenyl)-3-keto-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimid[1,6-a]azepine-4-carbonitrile Formula: C16H14FN3OS MolecularWeight: 315.365263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=O)N(C(=S)N2CC1)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

C1CCC2=C(C(=O)N(C(=S)N2CC1)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C16H14FN3OS/c17-11-5-7-12(8-6-11)20-15(21)13(10-18)14-4-2-1-3-9-19(14)16(20)22/h5-8H,1-4,9H2