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

Systemtic Name: propan-2-yl 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: isopropyl 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetic acid isopropyl ester Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC(C)C)C2=NC=CN=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC(C)C)C2=NC=CN=C2

InChI

InChI=1S/C13H17N5O2S/c1-4-18-12(10-7-14-5-6-15-10)16-17-13(18)21-8-11(19)20-9(2)3/h5-7,9H,4,8H2,1-3H3