propan-2-yl 4-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: propan-2-yl 4-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoic acid isopropyl ester Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S2/c1-19(2)31-25(30)21-15-13-20(14-16-21)17-33-26-28-27-24(18-32-23-11-7-4-8-12-23)29(26)22-9-5-3-6-10-22/h3-16,19H,17-18H2,1-2H3