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

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

C1CCC(CC1)CNC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C16H21N5OS/c22-14(18-10-12-4-2-1-3-5-12)11-23-16-19-15(20-21-16)13-6-8-17-9-7-13/h6-9,12H,1-5,10-11H2,(H,18,22)(H,19,20,21)