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

Systemtic Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)propanamide Openeye Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)propanamide CAS Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2,5-dimethylphenyl)propanamide IUPAC Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)propanamide Traditional Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2,5-dimethylphenyl)propionamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NN=CN2C3CC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NN=CN2C3CC3

InChI

InChI=1S/C16H20N4OS/c1-10-4-5-11(2)14(8-10)18-15(21)12(3)22-16-19-17-9-20(16)13-6-7-13/h4-5,8-9,12-13H,6-7H2,1-3H3,(H,18,21)