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

Systemtic Name: 2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C23H26N6OS MolecularWeight: 434.55714

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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(CCC#N)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6OS/c1-23(2,3)18-12-10-17(11-13-18)21-26-27-22(29(21)25)31-16-20(30)28(15-7-14-24)19-8-5-4-6-9-19/h4-6,8-13H,7,15-16,25H2,1-3H3