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

Systemtic Name: 2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-tert-butyl-acetamide CAS Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide Traditional Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-tert-butyl-acetamide Formula: C25H33N5OS MolecularWeight: 451.62742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N(CC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N(CC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C25H33N5OS/c1-24(2,3)20-14-12-19(13-15-20)22-27-28-23(30(22)26)32-17-21(31)29(25(4,5)6)16-18-10-8-7-9-11-18/h7-15H,16-17,26H2,1-6H3