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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCC1=NC(=NN1)SC(C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C18H22N6O2S/c1-5-14-19-18(22-21-14)27-12(3)16(25)20-15-11(2)23(4)24(17(15)26)13-9-7-6-8-10-13/h6-10,12H,5H2,1-4H3,(H,20,25)(H,19,21,22)