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

Systemtic Name: ethyl 4-[(2S)-3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2S)-3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2S)-3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2S)-3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C23H25N3O4S/c1-2-29-22(28)17-10-12-20(13-11-17)30-14-19(27)15-31-23-24-21(16-8-9-16)26(25-23)18-6-4-3-5-7-18/h3-7,10-13,16,19,27H,2,8-9,14-15H2,1H3/t19-/m0/s1