2-[cyanomethyl-[(3-nitrophenyl)methylsulfonyl]amino]ethanethioamide

Systemtic Name: 2-[cyanomethyl-[(3-nitrophenyl)methylsulfonyl]amino]ethanethioamide Openeye Name: 2-[cyanomethyl-[(3-nitrophenyl)methylsulfonyl]amino]thioacetamide CAS Name: 2-[cyanomethyl-[(3-nitrophenyl)methylsulfonyl]amino]ethanethioamide IUPAC Name: 2-[cyanomethyl-[(3-nitrophenyl)methylsulfonyl]amino]ethanethioamide Traditional Name: 2-[cyanomethyl-(3-nitrobenzyl)sulfonyl-amino]thioacetamide Formula: C11H12N4O4S2 MolecularWeight: 328.36738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)N(CC#N)CC(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)N(CC#N)CC(=S)N

InChI

InChI=1S/C11H12N4O4S2/c12-4-5-14(7-11(13)20)21(18,19)8-9-2-1-3-10(6-9)15(16)17/h1-3,6H,5,7-8H2,(H2,13,20)