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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(2-cyanophenyl)acetamide Formula: C22H23N5OS MolecularWeight: 405.51592

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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=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C22H23N5OS/c1-22(2,3)17-11-9-15(10-12-17)20-25-26-21(27(20)4)29-14-19(28)24-18-8-6-5-7-16(18)13-23/h5-12H,14H2,1-4H3,(H,24,28)