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

Systemtic Name: ethyl 2-[[4-azanyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1N)COC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1N)COC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C16H22N4O3S/c1-4-22-15(21)10-24-16-19-18-14(20(16)17)9-23-13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10,17H2,1-3H3