dodecyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: dodecyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: dodecyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetic acid lauryl ester Formula: C17H31N3O2S MolecularWeight: 341.51194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CSC1=NN=CN1C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CSC1=NN=CN1C

InChI

InChI=1S/C17H31N3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-22-16(21)14-23-17-19-18-15-20(17)2/h15H,3-14H2,1-2H3