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

Systemtic Name: ethyl 2-[[5-(3-methyl-2-nitro-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(3-methyl-2-nitro-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-methyl-2-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(3-methyl-2-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-methyl-2-nitro-phenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c1-3-27-16(24)12-28-19-21-20-18(22(19)14-9-5-4-6-10-14)15-11-7-8-13(2)17(15)23(25)26/h4-11H,3,12H2,1-2H3