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

Systemtic Name: 2-[[5-cyclopropyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclopropyl-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclopropyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclopropyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclopropyl-4-(4-methylbenzyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C15H16N3O2S- MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)[O-])C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)[O-])C3CC3

InChI

InChI=1S/C15H17N3O2S/c1-10-2-4-11(5-3-10)8-18-14(12-6-7-12)16-17-15(18)21-9-13(19)20/h2-5,12H,6-9H2,1H3,(H,19,20)/p-1