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

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-3-pyridyl)acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-3-pyridyl)acetamide Formula: C18H22ClN5OS MolecularWeight: 391.91818

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(N=CC=C2)Cl)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(N=CC=C2)Cl)C3CCCCC3

InChI

InChI=1S/C18H22ClN5OS/c1-2-11-24-17(13-7-4-3-5-8-13)22-23-18(24)26-12-15(25)21-14-9-6-10-20-16(14)19/h2,6,9-10,13H,1,3-5,7-8,11-12H2,(H,21,25)