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

Systemtic Name: tert-butyl 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetic acid tert-butyl ester Formula: C11H18N4O2S MolecularWeight: 270.35122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1N)C2CC2

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1N)C2CC2

InChI

InChI=1S/C11H18N4O2S/c1-11(2,3)17-8(16)6-18-10-14-13-9(15(10)12)7-4-5-7/h7H,4-6,12H2,1-3H3