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

Systemtic Name: butan-2-yl 2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: sec-butyl 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid sec-butyl ester Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CSC1=NN=C(N1N)C2=CC=NC=C2

Isomeric SMILES

CCC(C)OC(=O)CSC1=NN=C(N1N)C2=CC=NC=C2

InChI

InChI=1S/C13H17N5O2S/c1-3-9(2)20-11(19)8-21-13-17-16-12(18(13)14)10-4-6-15-7-5-10/h4-7,9H,3,8,14H2,1-2H3