N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C22H29N7O3S MolecularWeight: 471.57576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)N4CCOCC4

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)N4CCOCC4

InChI

InChI=1S/C22H29N7O3S/c1-4-28-21(27-11-13-32-14-12-27)24-25-22(28)33-15-10-18(30)23-19-16(2)26(3)29(20(19)31)17-8-6-5-7-9-17/h5-9H,4,10-15H2,1-3H3,(H,23,30)