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

Systemtic Name: butyl 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid butyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCOC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H20N4O3S/c1-3-4-9-22-13(20)10-23-15-18-17-14(19(15)16)11-5-7-12(21-2)8-6-11/h5-8H,3-4,9-10,16H2,1-2H3