3-[[4-azanyl-5-(propan-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[4-azanyl-5-(propan-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-amino-5-(isopropylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-amino-5-[(propan-2-ylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 3-[[4-amino-5-(propan-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-amino-5-[(isopropylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C14H17N4O2S2- MolecularWeight: 337.44038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=NN=C(N1N)SCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC(C)SCC1=NN=C(N1N)SCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C14H18N4O2S2/c1-9(2)21-8-12-16-17-14(18(12)15)22-7-10-4-3-5-11(6-10)13(19)20/h3-6,9H,7-8,15H2,1-2H3,(H,19,20)/p-1