4-oxidanylidene-2-sulfanylidene-6-undecyl-1,3-diazinane-5-carbonitrile

Systemtic Name: 4-oxidanylidene-2-sulfanylidene-6-undecyl-1,3-diazinane-5-carbonitrile Openeye Name: 4-oxo-2-thioxo-6-undecyl-hexahydropyrimidine-5-carbonitrile CAS Name: 4-oxo-2-sulfanylidene-6-undecyl-1,3-diazinane-5-carbonitrile IUPAC Name: 4-oxo-2-sulfanylidene-6-undecyl-1,3-diazinane-5-carbonitrile Traditional Name: 4-keto-2-thioxo-6-undecyl-hexahydropyrimidine-5-carbonitrile Formula: C16H27N3OS MolecularWeight: 309.47008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1C(C(=O)NC(=S)N1)C#N

Isomeric SMILES

CCCCCCCCCCCC1C(C(=O)NC(=S)N1)C#N

InChI

InChI=1S/C16H27N3OS/c1-2-3-4-5-6-7-8-9-10-11-14-13(12-17)15(20)19-16(21)18-14/h13-14H,2-11H2,1H3,(H2,18,19,20,21)