azane; 4-methyl-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxylic acid

Systemtic Name: azane; 4-methyl-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxylic acid Openeye Name: ammonia; 4-methyl-3-(3-pyridylmethyl)-2-thioxo-thiazole-5-carboxylic acid CAS Name: ammonia; 4-methyl-3-(3-pyridinylmethyl)-2-sulfanylidene-5-thiazolecarboxylic acid IUPAC Name: azane; 4-methyl-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxylic acid Traditional Name: ammonia; 4-methyl-3-(3-pyridylmethyl)-2-thioxo-4-thiazoline-5-carboxylic acid Formula: C11H13N3O2S2 MolecularWeight: 283.36982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=S)N1CC2=CN=CC=C2)C(=O)O.N

Isomeric SMILES

CC1=C(SC(=S)N1CC2=CN=CC=C2)C(=O)O.N

InChI

InChI=1S/C11H10N2O2S2.H3N/c1-7-9(10(14)15)17-11(16)13(7)6-8-3-2-4-12-5-8;/h2-5H,6H2,1H3,(H,14,15);1H3