2-[[5-(4-bromophenyl)-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-bromophenyl)-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-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1,2-dimethyl-propyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-cyano-3-methylbutan-2-yl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-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-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)acetamide Formula: C19H22BrN5OS MolecularWeight: 448.37988

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN5OS/c1-5-10-25-17(14-6-8-15(20)9-7-14)23-24-18(25)27-11-16(26)22-19(4,12-21)13(2)3/h5-9,13H,1,10-11H2,2-4H3,(H,22,26)