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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-4-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-4-nitro-phenyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(2-cyano-4-nitrophenyl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-4-nitrophenyl)acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(2-cyano-4-nitro-phenyl)acetamide Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H22N6O3S/c1-22(2,3)16-7-5-14(6-8-16)20-25-26-21(27(20)4)32-13-19(29)24-18-10-9-17(28(30)31)11-15(18)12-23/h5-11H,13H2,1-4H3,(H,24,29)