N-tert-butyl-2-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC(=O)NC(C)(C)C)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC(=O)NC(C)(C)C)C3=CC=NC=C3

InChI

InChI=1S/C20H22ClN5OS/c1-13-15(21)6-5-7-16(13)26-18(14-8-10-22-11-9-14)24-25-19(26)28-12-17(27)23-20(2,3)4/h5-11H,12H2,1-4H3,(H,23,27)