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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-butyl-ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-butyl-acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-butylacetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-butylacetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-butyl-acetamide Formula: C14H25N5OS MolecularWeight: 311.4462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1N)C2CCCCC2

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1N)C2CCCCC2

InChI

InChI=1S/C14H25N5OS/c1-2-3-9-16-12(20)10-21-14-18-17-13(19(14)15)11-7-5-4-6-8-11/h11H,2-10,15H2,1H3,(H,16,20)