(2Z)-2-(1,3-benzodioxol-5-ylhydrazinylidene)-2-tert-butylsulfonyl-ethanenitrile

Systemtic Name: (2Z)-2-(1,3-benzodioxol-5-ylhydrazinylidene)-2-tert-butylsulfonyl-ethanenitrile Openeye Name: (1Z)-N-(1,3-benzodioxol-5-ylamino)-1-tert-butylsulfonyl-formimidoyl cyanide CAS Name: (2Z)-2-(1,3-benzodioxol-5-ylhydrazinylidene)-2-tert-butylsulfonylacetonitrile IUPAC Name: (1Z)-N-(1,3-benzodioxol-5-ylamino)-1-tert-butylsulfonylmethanimidoyl cyanide Traditional Name: (2Z)-2-(1,3-benzodioxol-5-ylhydrazono)-2-tert-butylsulfonyl-acetonitrile Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C(=NNC1=CC2=C(C=C1)OCO2)C#N

Isomeric SMILES

CC(C)(C)S(=O)(=O)/C(=N\NC1=CC2=C(C=C1)OCO2)/C#N

InChI

InChI=1S/C13H15N3O4S/c1-13(2,3)21(17,18)12(7-14)16-15-9-4-5-10-11(6-9)20-8-19-10/h4-6,15H,8H2,1-3H3/b16-12-