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

Systemtic Name: methyl 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S/c1-25-15(22)11-26-17-19-18-16(20(17)13-5-3-2-4-6-13)12-7-9-14(10-8-12)21(23)24/h2-10H,11H2,1H3