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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C21H27N7OS MolecularWeight: 425.55038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NN=C(N3N)C4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NN=C(N3N)C4CCCCC4

InChI

InChI=1S/C21H27N7OS/c1-14-19(15(2)28(26-14)17-11-7-4-8-12-17)23-18(29)13-30-21-25-24-20(27(21)22)16-9-5-3-6-10-16/h4,7-8,11-12,16H,3,5-6,9-10,13,22H2,1-2H3,(H,23,29)