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

Systemtic Name: N-cyclopentyl-2-[[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclopentyl-2-[[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclopentyl-2-[[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclopentyl-2-[[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclopentyl-2-[[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)NC3CCCC3)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)NC3CCCC3)C4=CC=NC=C4)C

InChI

InChI=1S/C22H25N5OS/c1-15-11-16(2)13-19(12-15)27-21(17-7-9-23-10-8-17)25-26-22(27)29-14-20(28)24-18-5-3-4-6-18/h7-13,18H,3-6,14H2,1-2H3,(H,24,28)