2-[[4-azanyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]thio]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]thio]-N-(2-ethylphenyl)acetamide Formula: C21H21N7OS MolecularWeight: 419.50274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N7OS/c1-2-14-8-6-7-11-16(14)23-19(29)13-30-21-27-26-20(28(21)22)18-12-17(24-25-18)15-9-4-3-5-10-15/h3-12H,2,13,22H2,1H3,(H,23,29)(H,24,25)