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

Systemtic Name: butyl 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: butyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid butyl ester IUPAC Name: butyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid butyl ester Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S/c1-2-3-9-20-12(19)10-21-14-17-16-13(18(14)15)11-7-5-4-6-8-11/h4-8H,2-3,9-10,15H2,1H3