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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(C)C

InChI

InChI=1S/C20H26N6O2S/c1-6-25-18(13(2)3)22-23-20(25)29-12-16(27)21-17-14(4)24(5)26(19(17)28)15-10-8-7-9-11-15/h7-11,13H,6,12H2,1-5H3,(H,21,27)