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

Systemtic Name: butyl 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid butyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-2-3-12-28-18(25)14-29-20-22-21-19(23(20)16-9-5-4-6-10-16)15-8-7-11-17(13-15)24(26)27/h4-11,13H,2-3,12,14H2,1H3