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

Systemtic Name: methyl 2-[5-(4-tert-butylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanoate Openeye Name: methyl 2-[5-(4-tert-butylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]acetate CAS Name: 2-[5-[(4-tert-butylphenyl)thio]-3-nitro-1,2,4-triazol-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-tert-butylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[5-[(4-tert-butylphenyl)thio]-3-nitro-1,2,4-triazol-1-yl]acetic acid methyl ester Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=NC(=NN2CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=NC(=NN2CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O4S/c1-15(2,3)10-5-7-11(8-6-10)24-14-16-13(19(21)22)17-18(14)9-12(20)23-4/h5-8H,9H2,1-4H3