[3-[(6-chloranylpyridin-3-yl)carbonylamino]-3-methyl-2-oxidanylidene-pentyl] thiocyanate

Systemtic Name: [3-[(6-chloranylpyridin-3-yl)carbonylamino]-3-methyl-2-oxidanylidene-pentyl] thiocyanate Openeye Name: [3-[(6-chloropyridine-3-carbonyl)amino]-3-methyl-2-oxo-pentyl] thiocyanate CAS Name: thiocyanic acid [3-[[(6-chloro-3-pyridinyl)-oxomethyl]amino]-3-methyl-2-oxopentyl] ester IUPAC Name: [3-[(6-chloropyridine-3-carbonyl)amino]-3-methyl-2-oxopentyl] thiocyanate Traditional Name: thiocyanic acid [3-[(6-chloronicotinoyl)amino]-2-keto-3-methyl-pentyl] ester Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)CSC#N)NC(=O)C1=CN=C(C=C1)Cl

Isomeric SMILES

CCC(C)(C(=O)CSC#N)NC(=O)C1=CN=C(C=C1)Cl

InChI

InChI=1S/C13H14ClN3O2S/c1-3-13(2,10(18)7-20-8-15)17-12(19)9-4-5-11(14)16-6-9/h4-6H,3,7H2,1-2H3,(H,17,19)