4-(3,4-dimethoxyphenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile

Systemtic Name: 4-(3,4-dimethoxyphenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile Openeye Name: 4-(3,4-dimethoxyphenyl)-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile CAS Name: 4-(3,4-dimethoxyphenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile IUPAC Name: 4-(3,4-dimethoxyphenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile Traditional Name: 4-(3,4-dimethoxyphenyl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile Formula: C13H13N3O3S MolecularWeight: 291.32562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=O)NC(=S)N2)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(=O)NC(=S)N2)C#N)OC

InChI

InChI=1S/C13H13N3O3S/c1-18-9-4-3-7(5-10(9)19-2)11-8(6-14)12(17)16-13(20)15-11/h3-5,8,11H,1-2H3,(H2,15,16,17,20)