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

Systemtic Name: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-cyclohexyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H23N5OS/c27-19(23-17-9-3-1-4-10-17)15-28-21-25-24-20(16-8-7-13-22-14-16)26(21)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,23,27)