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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H23N5O2S MolecularWeight: 373.47252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C18H23N5O2S/c1-12(24)14-8-5-9-15(10-14)20-16(25)11-26-18-22-21-17(23(18)19)13-6-3-2-4-7-13/h5,8-10,13H,2-4,6-7,11,19H2,1H3,(H,20,25)