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

Systemtic Name: N-cyclohexyl-N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-cyclohexyl-N-methyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-cyclohexyl-N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-cyclohexyl-N-methyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CN(C1CCCCC1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C16H21N5OS/c1-21(13-5-3-2-4-6-13)14(22)11-23-16-18-15(19-20-16)12-7-9-17-10-8-12/h7-10,13H,2-6,11H2,1H3,(H,18,19,20)