4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiazole-2-carboxylic acid CAS Name: 4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]thiazole-2-carboxylic acid Formula: C13H14N4O2S2 MolecularWeight: 322.40586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=CSC(=N4)C(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=CSC(=N4)C(=O)O

InChI

InChI=1S/C13H14N4O2S2/c18-12(19)11-14-8(5-20-11)6-21-13-16-15-10(7-1-2-7)17(13)9-3-4-9/h5,7,9H,1-4,6H2,(H,18,19)