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

Systemtic Name: 4-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C17H14N5O2S- MolecularWeight: 352.39036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O2S/c1-2-9-22-15(14-10-18-7-8-19-14)20-21-17(22)25-11-12-3-5-13(6-4-12)16(23)24/h2-8,10H,1,9,11H2,(H,23,24)/p-1