2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C13H11N4O4S- MolecularWeight: 319.31584

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4S/c1-2-7-16-12(14-15-13(16)22-8-11(18)19)9-3-5-10(6-4-9)17(20)21/h2-6H,1,7-8H2,(H,18,19)/p-1