5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[(2-cyclohexylthiazol-4-yl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[[(2-cyclohexyl-4-thiazolyl)methylthio]methyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[[(2-cyclohexylthiazol-4-yl)methylthio]methyl]-1H-1,2,4-triazol-3-olate Formula: C13H17N4OS2- MolecularWeight: 309.43028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=CS2)CSCC3=NC(=NN3)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NC(=CS2)CSCC3=NC(=NN3)[O-]

InChI

InChI=1S/C13H18N4OS2/c18-13-15-11(16-17-13)8-19-6-10-7-20-12(14-10)9-4-2-1-3-5-9/h7,9H,1-6,8H2,(H2,15,16,17,18)/p-1