1,3-dimethyl-5-methylsulfanyl-pyrazole-4-carbaldehyde; 6-oxa-7-azabicyclo[3.1.1]hepta-1(7),2,4-triene

Systemtic Name: 1,3-dimethyl-5-methylsulfanyl-pyrazole-4-carbaldehyde; 6-oxa-7-azabicyclo[3.1.1]hepta-1(7),2,4-triene Openeye Name: 1,3-dimethyl-5-methylsulfanyl-pyrazole-4-carbaldehyde; 6-oxa-7-azabicyclo[3.1.1]hepta-1(7),2,4-triene CAS Name: 1,3-dimethyl-5-(methylthio)-4-pyrazolecarboxaldehyde; 6-oxa-7-azabicyclo[3.1.1]hepta-1(7),2,4-triene IUPAC Name: 1,3-dimethyl-5-methylsulfanylpyrazole-4-carbaldehyde; 6-oxa-7-azabicyclo[3.1.1]hepta-1(7),2,4-triene Traditional Name: 1,3-dimethyl-5-(methylthio)pyrazole-4-carbaldehyde; 6-oxa-7-azabicyclo[3.1.1]hepta-1(7),2,4-triene Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)SC)C.C1=CC2=NC(=C1)O2

Isomeric SMILES

CC1=NN(C(=C1C=O)SC)C.C1=CC2=NC(=C1)O2

InChI

InChI=1S/C7H10N2OS.C5H3NO/c1-5-6(4-10)7(11-3)9(2)8-5;1-2-4-6-5(3-1)7-4/h4H,1-3H3;1-3H