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

Systemtic Name: 2-methylpropyl 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isobutyl 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid isobutyl ester Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-16(2)13-26-20(25)15-28-21-23-22-19(14-27-18-11-7-4-8-12-18)24(21)17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3