2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetate Formula: C14H10N5O2S- MolecularWeight: 312.3265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])C3=NC=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])C3=NC=CN=C3

InChI

InChI=1S/C14H11N5O2S/c20-12(21)9-22-14-18-17-13(11-8-15-6-7-16-11)19(14)10-4-2-1-3-5-10/h1-8H,9H2,(H,20,21)/p-1