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

Systemtic Name: propan-2-yl 4-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-methyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-methyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoic acid isopropyl ester Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C)CSC3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C)CSC3=CC=CC=C3

InChI

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