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

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl ester IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl ester Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2S/c21-16(14-9-5-2-6-10-14)22-11-12-23-17-18-15(19-20-17)13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,19,20)