isothiocyanato-(5-methyl-1,2-oxazol-4-yl)methanone

Systemtic Name: isothiocyanato-(5-methyl-1,2-oxazol-4-yl)methanone Openeye Name: 5-methylisoxazole-4-carbonyl isothiocyanate CAS Name: isothiocyanato-(5-methyl-4-isoxazolyl)methanone IUPAC Name: 5-methyl-1,2-oxazole-4-carbonyl isothiocyanate Traditional Name: isothiocyanato-(5-methylisoxazol-4-yl)methanone Formula: C6H4N2O2S MolecularWeight: 168.17316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NO1)C(=O)N=C=S

Isomeric SMILES

CC1=C(C=NO1)C(=O)N=C=S

InChI

InChI=1S/C6H4N2O2S/c1-4-5(2-8-10-4)6(9)7-3-11/h2H,1H3