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

Systemtic Name: propyl 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: propyl 2-[[4-phenyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid propyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N3O4S2/c1-3-13-28-20(25)14-29-21-23-22-19(24(21)17-7-5-4-6-8-17)15-30(26,27)18-11-9-16(2)10-12-18/h4-12H,3,13-15H2,1-2H3