2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate

Systemtic Name: 2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate Openeye Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]ethyl ester IUPAC Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]ethyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3S/c23-17(16-9-5-2-6-10-16)25-13-14-26-19-21-20-18(24)22(19)12-11-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,24)