2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2,6-dimethylphenyl)acetamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C20H21N5OS/c1-13-5-3-6-14(2)18(13)22-17(26)12-27-20-24-23-19(25(20)16-8-9-16)15-7-4-10-21-11-15/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,22,26)