2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methyl-butan-2-yl)ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methyl-butan-2-yl)ethanamide Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1,2-dimethyl-propyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-cyano-3-methylbutan-2-yl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)acetamide Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H31N5OS/c1-8-13-28-20(17-9-11-18(12-10-17)22(4,5)6)26-27-21(28)30-14-19(29)25-23(7,15-24)16(2)3/h8-12,16H,1,13-14H2,2-7H3,(H,25,29)