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

Systemtic Name: propan-2-yl 2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-allyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(N1CC=C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1CC=C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-4-8-19-15(12-6-5-7-13(9-12)20(22)23)17-18-16(19)25-10-14(21)24-11(2)3/h4-7,9,11H,1,8,10H2,2-3H3