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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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