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

Systemtic Name: ethyl 2-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-amino-5-p-anisyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1N)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1N)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C14H18N4O3S/c1-3-21-13(19)9-22-14-17-16-12(18(14)15)8-10-4-6-11(20-2)7-5-10/h4-7H,3,8-9,15H2,1-2H3