4-[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(N1N)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=O)CCSC1=NN=C(N1N)COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C17H24N4O2S/c1-12(22)9-10-24-16-20-19-15(21(16)18)11-23-14-7-5-13(6-8-14)17(2,3)4/h5-8H,9-11,18H2,1-4H3