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

Systemtic Name: ethyl 2-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O4S/c1-3-22-13(19)8-12-15-16-14(17(12)2)23-9-10-4-6-11(7-5-10)18(20)21/h4-7H,3,8-9H2,1-2H3