1-[2-(4-oxidanidyl-6-propyl-pyrimidin-2-yl)sulfanylethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-(4-oxidanidyl-6-propyl-pyrimidin-2-yl)sulfanylethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(4-oxido-6-propyl-pyrimidin-2-yl)sulfanylethyl]triazole-4-carboxylate CAS Name: 1-[2-[(4-oxido-6-propyl-2-pyrimidinyl)thio]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(4-oxido-6-propylpyrimidin-2-yl)sulfanylethyl]triazole-4-carboxylate Traditional Name: 1-[2-[(4-oxido-6-propyl-pyrimidin-2-yl)thio]ethyl]triazole-4-carboxylate Formula: C12H13N5O3S-2 MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCCN2C=C(N=N2)C(=O)[O-])[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCCN2C=C(N=N2)C(=O)[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)/p-2