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

Systemtic Name: 2-[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide Openeye Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C17H25N5O2S MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)SC1=NN=C(N1N)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC)SC1=NN=C(N1N)COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C17H25N5O2S/c1-11(15(23)19-5)25-16-21-20-14(22(16)18)10-24-13-8-6-12(7-9-13)17(2,3)4/h6-9,11H,10,18H2,1-5H3,(H,19,23)