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

Systemtic Name: N-tert-butyl-2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-cyclohexyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CN=CC=C3

InChI

InChI=1S/C19H27N5OS/c1-19(2,3)21-16(25)13-26-18-23-22-17(14-8-7-11-20-12-14)24(18)15-9-5-4-6-10-15/h7-8,11-12,15H,4-6,9-10,13H2,1-3H3,(H,21,25)