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

Systemtic Name: 2-(4-methoxyphenyl)-3-oxidanylidene-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Openeye Name: 2-(4-methoxyphenyl)-3-oxo-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile CAS Name: 2-(4-methoxyphenyl)-3-oxo-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile IUPAC Name: 2-(4-methoxyphenyl)-3-oxo-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Traditional Name: 3-keto-2-(4-methoxyphenyl)-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimid[1,6-a]azepine-4-carbonitrile Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=C3CCCCCN3C2=S)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=C3CCCCCN3C2=S)C#N

InChI

InChI=1S/C17H17N3O2S/c1-22-13-8-6-12(7-9-13)20-16(21)14(11-18)15-5-3-2-4-10-19(15)17(20)23/h6-9H,2-5,10H2,1H3