2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(phenylmethyl)phenyl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(phenylmethyl)phenyl]ethanamide Openeye Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-benzylphenyl)acetamide CAS Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-benzylphenyl)acetamide Traditional Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(2-benzylphenyl)acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-21(2,3)19-24-25-20(26(19)22)28-14-18(27)23-17-12-8-7-11-16(17)13-15-9-5-4-6-10-15/h4-12H,13-14,22H2,1-3H3,(H,23,27)