tert-butyl N-(cyanomethyl)-N-(2-oxidanylidene-4-sulfanylidene-1H-pyridin-3-yl)carbamate

Systemtic Name: tert-butyl N-(cyanomethyl)-N-(2-oxidanylidene-4-sulfanylidene-1H-pyridin-3-yl)carbamate Openeye Name: tert-butyl N-(cyanomethyl)-N-(2-oxo-4-thioxo-1H-pyridin-3-yl)carbamate CAS Name: N-(cyanomethyl)-N-(2-oxo-4-sulfanylidene-1H-pyridin-3-yl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(cyanomethyl)-N-(2-oxo-4-sulfanylidene-1H-pyridin-3-yl)carbamate Traditional Name: N-(cyanomethyl)-N-(2-keto-4-thioxo-1H-pyridin-3-yl)carbamic acid tert-butyl ester Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC#N)C1C(=S)C=CNC1=O

Isomeric SMILES

CC(C)(C)OC(=O)N(CC#N)C1C(=S)C=CNC1=O

InChI

InChI=1S/C12H15N3O3S/c1-12(2,3)18-11(17)15(7-5-13)9-8(19)4-6-14-10(9)16/h4,6,9H,7H2,1-3H3,(H,14,16)