2-[[4-(cyclopropylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(cyclopropylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(cyclopropylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(cyclopropylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(cyclopropylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(cyclopropylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C12H12N3O2S2- MolecularWeight: 294.37258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C(=NN=C2SCC(=O)[O-])C3=CC=CS3

Isomeric SMILES

C1CC1CN2C(=NN=C2SCC(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C12H13N3O2S2/c16-10(17)7-19-12-14-13-11(9-2-1-5-18-9)15(12)6-8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,16,17)/p-1