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

Systemtic Name: 2-[(4-azanyl-5-pentan-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 2-[[4-amino-5-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 2-[[(4-amino-5-pentan-3-yl-1,2,4-triazol-3-yl)thio]methyl]benzoate IUPAC Name: 2-[(4-amino-5-pentan-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[[4-amino-5-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C15H19N4O2S- MolecularWeight: 319.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(N1N)SCC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCC(CC)C1=NN=C(N1N)SCC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C15H20N4O2S/c1-3-10(4-2)13-17-18-15(19(13)16)22-9-11-7-5-6-8-12(11)14(20)21/h5-8,10H,3-4,9,16H2,1-2H3,(H,20,21)/p-1