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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C20H25N7OS MolecularWeight: 411.5238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H25N7OS/c1-14-12-17(27(25-14)16-10-6-3-7-11-16)22-18(28)13-29-20-24-23-19(26(20)21)15-8-4-2-5-9-15/h3,6-7,10-12,15H,2,4-5,8-9,13,21H2,1H3,(H,22,28)