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

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[(4-cyclohexyl-5-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)N2C(=NN=C2SCC(=O)NC3=NC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=NC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN5OS/c22-16-11-12-18(23-13-16)24-19(28)14-29-21-26-25-20(15-7-3-1-4-8-15)27(21)17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2,(H,23,24,28)