1-[(E)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methylideneamino]thiourea

Systemtic Name: 1-[(E)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methylideneamino]thiourea Openeye Name: [(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea CAS Name: [(E)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methylideneamino]thiourea IUPAC Name: [(E)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: [(E)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyleneamino]thiourea Formula: C13H15N5OS MolecularWeight: 289.3561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=N/NC(=S)N

InChI

InChI=1S/C13H15N5OS/c1-9-11(8-15-16-13(14)20)12(19)18(17(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H3,14,16,20)/b15-8+