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

Systemtic Name: 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl ester IUPAC Name: 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C15H13N3O2S2 MolecularWeight: 331.41262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C15H13N3O2S2/c19-14(11-5-2-1-3-6-11)20-8-10-22-15-16-13(17-18-15)12-7-4-9-21-12/h1-7,9H,8,10H2,(H,16,17,18)