4-[3-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate

Systemtic Name: 4-[3-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]propoxy]benzoate Formula: C13H15N4O3S- MolecularWeight: 307.3482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1N)SCCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H16N4O3S/c1-9-15-16-13(17(9)14)21-8-2-7-20-11-5-3-10(4-6-11)12(18)19/h3-6H,2,7-8,14H2,1H3,(H,18,19)/p-1