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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(C)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(C)C

InChI

InChI=1S/C21H28N6O2S/c1-6-12-26-19(14(2)3)23-24-21(26)30-13-17(28)22-18-15(4)25(5)27(20(18)29)16-10-8-7-9-11-16/h7-11,14H,6,12-13H2,1-5H3,(H,22,28)