2-[[4-[(2-chlorophenyl)methyl]-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-[(2-chlorophenyl)methyl]-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(2-chlorophenyl)methyl]-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2-chlorophenyl)methyl]-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2-chlorophenyl)methyl]-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-chlorobenzyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetate Formula: C14H13ClN3O2S- MolecularWeight: 322.78992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3Cl)SCC(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3Cl)SCC(=O)[O-]

InChI

InChI=1S/C14H14ClN3O2S/c15-11-4-2-1-3-10(11)7-18-13(9-5-6-9)16-17-14(18)21-8-12(19)20/h1-4,9H,5-8H2,(H,19,20)/p-1