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

Systemtic Name: ethyl 2-[4-methyl-5-(3-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-5-[(3-nitro-2-pyridyl)sulfanyl]-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-5-[(3-nitro-2-pyridinyl)thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-5-(3-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-methyl-5-[(3-nitro-2-pyridyl)thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SC2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SC2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O4S/c1-3-21-10(18)7-9-14-15-12(16(9)2)22-11-8(17(19)20)5-4-6-13-11/h4-6H,3,7H2,1-2H3