(2E)-2-cyano-2-[(4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]ethanethioamide

Systemtic Name: (2E)-2-cyano-2-[(4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]ethanethioamide Openeye Name: (1E)-2-amino-N-(4-pyrrolidin-1-ylsulfonylanilino)-2-thioxo-acetimidoyl cyanide CAS Name: (2E)-2-cyano-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]hydrazinylidene]ethanethioamide IUPAC Name: (1E)-2-amino-N-(4-pyrrolidin-1-ylsulfonylanilino)-2-sulfanylideneethanimidoyl cyanide Traditional Name: (2E)-2-cyano-2-[(4-pyrrolidinosulfonylphenyl)hydrazono]thioacetamide Formula: C13H15N5O2S2 MolecularWeight: 337.4205

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NN=C(C#N)C(=S)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N/N=C(\C#N)/C(=S)N

InChI

InChI=1S/C13H15N5O2S2/c14-9-12(13(15)21)17-16-10-3-5-11(6-4-10)22(19,20)18-7-1-2-8-18/h3-6,16H,1-2,7-8H2,(H2,15,21)/b17-12+