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

Systemtic Name: ethyl 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C

InChI

InChI=1S/C13H15N3O2S/c1-3-18-12(17)9-19-13-15-14-10(2)16(13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3