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

Systemtic Name: propyl 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: propyl 2-[[4-phenyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(4-methylphenyl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-[(p-tolylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid propyl ester Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N3O2S2/c1-3-13-26-20(25)15-28-21-23-22-19(24(21)17-7-5-4-6-8-17)14-27-18-11-9-16(2)10-12-18/h4-12H,3,13-15H2,1-2H3