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

Systemtic Name: propan-2-yl 2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O4S/c1-4-18-14(11-6-5-7-12(8-11)19(21)22)16-17-15(18)24-9-13(20)23-10(2)3/h5-8,10H,4,9H2,1-3H3