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

Systemtic Name: methyl 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C14H15N3O2S/c1-19-12(18)9-20-14-15-13(10-7-8-10)17(16-14)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3