N-(2-chloranylpyridin-3-yl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H22ClN5OS MolecularWeight: 427.95028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC(=O)NC4=C(N=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC(=O)NC4=C(N=CC=C4)Cl

InChI

InChI=1S/C21H22ClN5OS/c22-19-17(12-7-13-23-19)24-18(28)14-29-21-25-20(15-8-3-1-4-9-15)27(26-21)16-10-5-2-6-11-16/h2,5-7,10-13,15H,1,3-4,8-9,14H2,(H,24,28)