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

Systemtic Name: 5-[[4-azanyl-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-amino-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-amino-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-amino-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-amino-5-(2,5-dimethylbenzyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furoate Formula: C17H17N4O3S- MolecularWeight: 357.40688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=NN=C(N2N)SCC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=NN=C(N2N)SCC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C17H18N4O3S/c1-10-3-4-11(2)12(7-10)8-15-19-20-17(21(15)18)25-9-13-5-6-14(24-13)16(22)23/h3-7H,8-9,18H2,1-2H3,(H,22,23)/p-1