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

Systemtic Name: 3-oxidanylidene-2-phenyl-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Openeye Name: 3-oxo-2-phenyl-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile CAS Name: 3-oxo-2-phenyl-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile IUPAC Name: 3-oxo-2-phenyl-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Traditional Name: 3-keto-2-phenyl-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimid[1,6-a]azepine-4-carbonitrile Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3OS/c17-11-13-14-9-5-2-6-10-18(14)16(21)19(15(13)20)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2