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

Systemtic Name: 2-[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2N)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2N)COC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H27N5O2S/c1-15(20(28)24-17-8-6-5-7-9-17)30-21-26-25-19(27(21)23)14-29-18-12-10-16(11-13-18)22(2,3)4/h5-13,15H,14,23H2,1-4H3,(H,24,28)