5-isocyano-2-phenyl-4-(1,3,4-thiadiazol-2-yldiazenyl)-4H-pyrazol-3-one

Systemtic Name: 5-isocyano-2-phenyl-4-(1,3,4-thiadiazol-2-yldiazenyl)-4H-pyrazol-3-one Openeye Name: 5-isocyano-2-phenyl-4-(1,3,4-thiadiazol-2-ylazo)-4H-pyrazol-3-one CAS Name: 5-isocyano-2-phenyl-4-(1,3,4-thiadiazol-2-ylazo)-4H-pyrazol-3-one IUPAC Name: 5-isocyano-2-phenyl-4-(1,3,4-thiadiazol-2-yldiazenyl)-4H-pyrazol-3-one Traditional Name: 5-isocyano-2-phenyl-4-(1,3,4-thiadiazol-2-ylazo)-2-pyrazolin-3-one Formula: C12H7N7OS MolecularWeight: 297.29528

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=NN(C(=O)C1N=NC2=NN=CS2)C3=CC=CC=C3

Isomeric SMILES

[C-]#[N+]C1=NN(C(=O)C1N=NC2=NN=CS2)C3=CC=CC=C3

InChI

InChI=1S/C12H7N7OS/c1-13-10-9(15-17-12-16-14-7-21-12)11(20)19(18-10)8-5-3-2-4-6-8/h2-7,9H