3-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]-2-(1,3-dihydrobenzimidazol-2-ylidene)propanenitrile

Systemtic Name: 3-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]-2-(1,3-dihydrobenzimidazol-2-ylidene)propanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)propanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)propanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)propanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)propionitrile Formula: C14H9N5O2S MolecularWeight: 311.31856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C=C3C(=O)NC(=S)NC3=O)C#N)N2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C=C3C(=O)NC(=S)NC3=O)C#N)N2

InChI

InChI=1S/C14H9N5O2S/c15-6-7(5-8-12(20)18-14(22)19-13(8)21)11-16-9-3-1-2-4-10(9)17-11/h1-5,16-17H,(H2,18,19,20,21,22)