isothiocyanato-(1-methylpyrazol-4-yl)methanone

Systemtic Name: isothiocyanato-(1-methylpyrazol-4-yl)methanone Openeye Name: 1-methylpyrazole-4-carbonyl isothiocyanate CAS Name: isothiocyanato-(1-methyl-4-pyrazolyl)methanone IUPAC Name: 1-methylpyrazole-4-carbonyl isothiocyanate Traditional Name: isothiocyanato-(1-methylpyrazol-4-yl)methanone Formula: C6H5N3OS MolecularWeight: 167.1884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)N=C=S

Isomeric SMILES

CN1C=C(C=N1)C(=O)N=C=S

InChI

InChI=1S/C6H5N3OS/c1-9-3-5(2-8-9)6(10)7-4-11/h2-3H,1H3