4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoate Formula: C13H13N4O3S- MolecularWeight: 305.33232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-8-15-16-13(17(8)2)21-7-11(18)14-10-5-3-9(4-6-10)12(19)20/h3-6H,7H2,1-2H3,(H,14,18)(H,19,20)/p-1