propyl 2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: propyl 2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: propyl 2-[[4-methyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid propyl ester Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NN=C(N1C)CS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCOC(=O)CSC1=NN=C(N1C)CS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H21N3O4S2/c1-4-9-23-15(20)10-24-16-18-17-14(19(16)3)11-25(21,22)13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3