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

Systemtic Name: 3-oxidanylidene-2-pyridin-2-yl-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Openeye Name: 3-oxo-2-(2-pyridyl)-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile CAS Name: 3-oxo-2-(2-pyridinyl)-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile IUPAC Name: 3-oxo-2-pyridin-2-yl-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Traditional Name: 3-keto-2-(2-pyridyl)-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimid[1,6-a]azepine-4-carbonitrile Formula: C15H14N4OS MolecularWeight: 298.36286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=O)N(C(=S)N2CC1)C3=CC=CC=N3)C#N

Isomeric SMILES

C1CCC2=C(C(=O)N(C(=S)N2CC1)C3=CC=CC=N3)C#N

InChI

InChI=1S/C15H14N4OS/c16-10-11-12-6-2-1-5-9-18(12)15(21)19(14(11)20)13-7-3-4-8-17-13/h3-4,7-8H,1-2,5-6,9H2