1-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]triazole-4-carboxylic acid Formula: C12H15N5O3S MolecularWeight: 309.3442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCN2C=C(N=N2)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C12H15N5O3S/c1-2-3-8-6-10(18)14-12(13-8)21-5-4-17-7-9(11(19)20)15-16-17/h6-7H,2-5H2,1H3,(H,19,20)(H,13,14,18)