4-[[1,3-dimethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1,3-dimethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzenecarbonitrile Openeye Name: 4-[(1,3-dimethyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzonitrile CAS Name: 4-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzonitrile IUPAC Name: 4-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzonitrile Traditional Name: 4-[(4,6-diketo-1,3-dimethyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzonitrile Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(C=C2)C#N)C(=O)N(C1=S)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC=C(C=C2)C#N)C(=O)N(C1=S)C

InChI

InChI=1S/C14H11N3O2S/c1-16-12(18)11(13(19)17(2)14(16)20)7-9-3-5-10(8-15)6-4-9/h3-7H,1-2H3