2-[4-[1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]phenyl]sulfanyl-2-methyl-propanoate

Systemtic Name: 2-[4-[1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]phenyl]sulfanyl-2-methyl-propanoate Openeye Name: 2-[4-[1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]phenyl]sulfanyl-2-methyl-propanoate CAS Name: 2-[[4-[1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]phenyl]thio]-2-methylpropanoate IUPAC Name: 2-[4-[1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]phenyl]sulfanyl-2-methylpropanoate Traditional Name: 2-[[4-[1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]phenyl]thio]-2-methyl-propionate Formula: C16H20N3O3S- MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=NC(=N1)C2=CC=C(C=C2)SC(C)(C)C(=O)[O-]

Isomeric SMILES

CCOCCN1C=NC(=N1)C2=CC=C(C=C2)SC(C)(C)C(=O)[O-]

InChI

InChI=1S/C16H21N3O3S/c1-4-22-10-9-19-11-17-14(18-19)12-5-7-13(8-6-12)23-16(2,3)15(20)21/h5-8,11H,4,9-10H2,1-3H3,(H,20,21)/p-1