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

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCOC(=O)C3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCCOC(=O)C3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C19H19N3O2S2/c23-18(14-5-2-1-3-6-14)24-10-12-26-19-21-20-17(22(19)15-8-9-15)13-16-7-4-11-25-16/h1-7,11,15H,8-10,12-13H2