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

Systemtic Name: 3-oxidanylidene-2-(4-phenoxyphenyl)-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Openeye Name: 3-oxo-2-(4-phenoxyphenyl)-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile CAS Name: 3-oxo-2-(4-phenoxyphenyl)-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile IUPAC Name: 3-oxo-2-(4-phenoxyphenyl)-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Traditional Name: 3-keto-2-(4-phenoxyphenyl)-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimid[1,6-a]azepine-4-carbonitrile Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=O)N(C(=S)N2CC1)C3=CC=C(C=C3)OC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C(=O)N(C(=S)N2CC1)C3=CC=C(C=C3)OC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H19N3O2S/c23-15-19-20-9-5-2-6-14-24(20)22(28)25(21(19)26)16-10-12-18(13-11-16)27-17-7-3-1-4-8-17/h1,3-4,7-8,10-13H,2,5-6,9,14H2