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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-chloro-4-methylphenyl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C)Cl

InChI

InChI=1S/C22H25ClN4OS/c1-14-6-11-17(12-18(14)23)24-19(28)13-29-21-26-25-20(27(21)5)15-7-9-16(10-8-15)22(2,3)4/h6-12H,13H2,1-5H3,(H,24,28)