2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C19H24N6O2S MolecularWeight: 400.49786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NNC(=N3)C(C)(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NNC(=N3)C(C)(C)C

InChI

InChI=1S/C19H24N6O2S/c1-12-15(16(27)25(24(12)5)13-9-7-6-8-10-13)20-14(26)11-28-18-21-17(22-23-18)19(2,3)4/h6-10H,11H2,1-5H3,(H,20,26)(H,21,22,23)