5-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-ethylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-ethylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-ethylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(ethylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)pyrimidine-4-carboxamide Formula: C18H18ClN5O2S MolecularWeight: 403.88582

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)Cl

InChI

InChI=1S/C18H18ClN5O2S/c1-4-27-18-20-10-13(19)15(22-18)16(25)21-14-11(2)23(3)24(17(14)26)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,21,25)