(1,5-dimethylpyrazol-4-yl)-isothiocyanato-methanone

Systemtic Name: (1,5-dimethylpyrazol-4-yl)-isothiocyanato-methanone Openeye Name: 1,5-dimethylpyrazole-4-carbonyl isothiocyanate CAS Name: (1,5-dimethyl-4-pyrazolyl)-isothiocyanatomethanone IUPAC Name: 1,5-dimethylpyrazole-4-carbonyl isothiocyanate Traditional Name: (1,5-dimethylpyrazol-4-yl)-isothiocyanato-methanone Formula: C7H7N3OS MolecularWeight: 181.21498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7N3OS/c1-5-6(3-9-10(5)2)7(11)8-4-12/h3H,1-2H3