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

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4CC4

InChI

InChI=1S/C21H26N6O2S/c1-5-26-18(15-11-12-15)23-24-21(26)30-14(3)19(28)22-17-13(2)25(4)27(20(17)29)16-9-7-6-8-10-16/h6-10,14-15H,5,11-12H2,1-4H3,(H,22,28)