5-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-2-furoate Formula: C14H17N4O3S- MolecularWeight: 321.37478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C14H18N4O3S/c15-18-12(9-4-2-1-3-5-9)16-17-14(18)22-8-10-6-7-11(21-10)13(19)20/h6-7,9H,1-5,8,15H2,(H,19,20)/p-1