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

Systemtic Name: 2-[[4-(2-methylprop-2-enyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-methylallyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-methylprop-2-enyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2-methylprop-2-enyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-methylallyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C14H13N4O4S- MolecularWeight: 333.34242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=C)CN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O4S/c1-9(2)7-17-13(15-16-14(17)23-8-12(19)20)10-3-5-11(6-4-10)18(21)22/h3-6H,1,7-8H2,2H3,(H,19,20)/p-1