4-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)butyl thiocyanate

Systemtic Name: 4-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)butyl thiocyanate Openeye Name: 4-(4-oxo-2-thioxo-1H-pyrimidin-5-yl)butyl thiocyanate CAS Name: thiocyanic acid 4-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)butyl ester IUPAC Name: 4-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)butyl thiocyanate Traditional Name: thiocyanic acid 4-(4-keto-2-thioxo-1H-pyrimidin-5-yl)butyl ester Formula: C9H11N3OS2 MolecularWeight: 241.33314

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)NC(=S)N1)CCCCSC#N

Isomeric SMILES

C1=C(C(=O)NC(=S)N1)CCCCSC#N

InChI

InChI=1S/C9H11N3OS2/c10-6-15-4-2-1-3-7-5-11-9(14)12-8(7)13/h5H,1-4H2,(H2,11,12,13,14)