4-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[4-ethyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C16H14N5O2S- MolecularWeight: 340.37966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)[O-])C3=NC=CN=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)[O-])C3=NC=CN=C3

InChI

InChI=1S/C16H15N5O2S/c1-2-21-14(13-9-17-7-8-18-13)19-20-16(21)24-10-11-3-5-12(6-4-11)15(22)23/h3-9H,2,10H2,1H3,(H,22,23)/p-1