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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NNC(=N3)N)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NNC(=N3)N)C4=CC=CC=C4

InChI

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