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

Systemtic Name: ethyl 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2

InChI

InChI=1S/C12H14N4O2S/c1-2-18-10(17)8-19-12-15-14-11(16(12)13)9-6-4-3-5-7-9/h3-7H,2,8,13H2,1H3