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

Systemtic Name: methyl 2-phenyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetate CAS Name: 2-phenyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-phenyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-acetic acid methyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC(C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)C1=NC(=NN1)SC(C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H17N3O2S/c1-9(2)12-15-14(17-16-12)20-11(13(18)19-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,15,16,17)