ethyl 4-[3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[2-hydroxy-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-hydroxy-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propoxy]benzoic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(N2C3=CC=CC=C3)C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(N2C3=CC=CC=C3)C)O

InChI

InChI=1S/C21H23N3O4S/c1-3-27-20(26)16-9-11-19(12-10-16)28-13-18(25)14-29-21-23-22-15(2)24(21)17-7-5-4-6-8-17/h4-12,18,25H,3,13-14H2,1-2H3