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

Systemtic Name: methyl 2-[[4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC)C2CC2C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC)C2CC2C3=CC=CC=C3

InChI

InChI=1S/C16H19N3O2S/c1-3-19-15(17-18-16(19)22-10-14(20)21-2)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3