1-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-3-methylsulfanyl-urea

Systemtic Name: 1-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-3-methylsulfanyl-urea Openeye Name: 1-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-3-methylsulfanyl-urea CAS Name: 1-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-3-(methylthio)urea IUPAC Name: 1-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-methylsulfanylurea Traditional Name: 1-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-3-(methylthio)urea Formula: C13H14ClN5OS MolecularWeight: 323.80116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)NSC)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=O)NSC)Cl)C2=CC=CC=C2

InChI

InChI=1S/C13H14ClN5OS/c1-9-11(8-15-16-13(20)18-21-2)12(14)19(17-9)10-6-4-3-5-7-10/h3-8H,1-2H3,(H2,16,18,20)/b15-8+