5-(1-azanyl-2-carbamothioyl-3-methyl-1-sulfanylidene-butan-2-yl)pyridine-2-carboxylic acid

Systemtic Name: 5-(1-azanyl-2-carbamothioyl-3-methyl-1-sulfanylidene-butan-2-yl)pyridine-2-carboxylic acid Openeye Name: 5-(1,1-dicarbamothioyl-2-methyl-propyl)pyridine-2-carboxylic acid CAS Name: 5-(1-amino-2-carbamothioyl-3-methyl-1-sulfanylidenebutan-2-yl)-2-pyridinecarboxylic acid IUPAC Name: 5-(1-amino-2-carbamothioyl-3-methyl-1-sulfanylidenebutan-2-yl)pyridine-2-carboxylic acid Traditional Name: 5-(2-methyl-1,1-dithiocarbamoyl-propyl)picolinic acid Formula: C12H15N3O2S2 MolecularWeight: 297.3964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CN=C(C=C1)C(=O)O)(C(=S)N)C(=S)N

Isomeric SMILES

CC(C)C(C1=CN=C(C=C1)C(=O)O)(C(=S)N)C(=S)N

InChI

InChI=1S/C12H15N3O2S2/c1-6(2)12(10(13)18,11(14)19)7-3-4-8(9(16)17)15-5-7/h3-6H,1-2H3,(H2,13,18)(H2,14,19)(H,16,17)