1-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]thiourea

Systemtic Name: 1-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]thiourea Openeye Name: [(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]thiourea CAS Name: [(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]thiourea IUPAC Name: [(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]thiourea Traditional Name: [(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]thiourea Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC(=S)N)C2=CC=CC=C2

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC(=S)N)C2=CC=CC=C2

InChI

InChI=1S/C12H12N4OS/c1-8-10(7-14-12(13)18)11(17)16(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14,18)/b10-7+