2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)ethanamide Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(2,4-dimethylphenyl)acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H22N4OS/c1-14-8-11-18(15(2)12-14)22-19(26)13-27-21-23-20(16-9-10-16)25(24-21)17-6-4-3-5-7-17/h3-8,11-12,16H,9-10,13H2,1-2H3,(H,22,26)