1-(1,3-benzodioxol-5-yl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile CAS Name: 1-(1,3-benzodioxol-5-yl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarbonitrile IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-(4-mesylphenyl)pyrazole-3-carbonitrile Formula: C18H13N3O4S MolecularWeight: 367.37852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C18H13N3O4S/c1-26(22,23)15-5-2-12(3-6-15)16-8-13(10-19)20-21(16)14-4-7-17-18(9-14)25-11-24-17/h2-9H,11H2,1H3