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

Systemtic Name: methyl 2-[[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC)C2CC2C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC)C2CC2C3=CC=CC=C3

InChI

InChI=1S/C15H17N3O2S/c1-18-14(16-17-15(18)21-9-13(19)20-2)12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3