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

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetate Formula: C14H14N3O2S- MolecularWeight: 288.34486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)[O-]

InChI

InChI=1S/C14H15N3O2S/c18-12(19)9-20-14-16-15-13(11-6-7-11)17(14)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,18,19)/p-1