isothiocyanato-(1,3,5-trimethylpyrazol-4-yl)methanone

Systemtic Name: isothiocyanato-(1,3,5-trimethylpyrazol-4-yl)methanone Openeye Name: 1,3,5-trimethylpyrazole-4-carbonyl isothiocyanate CAS Name: isothiocyanato-(1,3,5-trimethyl-4-pyrazolyl)methanone IUPAC Name: 1,3,5-trimethylpyrazole-4-carbonyl isothiocyanate Traditional Name: isothiocyanato-(1,3,5-trimethylpyrazol-4-yl)methanone Formula: C8H9N3OS MolecularWeight: 195.24156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)N=C=S

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)N=C=S

InChI

InChI=1S/C8H9N3OS/c1-5-7(8(12)9-4-13)6(2)11(3)10-5/h1-3H3