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

Systemtic Name: 2-methylpropyl 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: isobutyl 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid isobutyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)OCC(C)C

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)OCC(C)C

InChI

InChI=1S/C16H21N3O2S/c1-4-14-17-18-16(19(14)13-8-6-5-7-9-13)22-11-15(20)21-10-12(2)3/h5-9,12H,4,10-11H2,1-3H3