N-[(E)-(3-chloranyl-5-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(E)-(3-chloranyl-5-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(E)-(3-chloro-5-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(E)-(3-chloro-5-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(E)-(3-chloro-5-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(E)-(3-chloro-5-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-2-(2-pyrimidylthio)acetamide Formula: C17H15ClN6OS MolecularWeight: 386.8586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)Cl)C=NNC(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)Cl)/C=N/NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H15ClN6OS/c1-12-14(16(18)23-24(12)13-6-3-2-4-7-13)10-21-22-15(25)11-26-17-19-8-5-9-20-17/h2-10H,11H2,1H3,(H,22,25)/b21-10+