2-[(2-chloranyl-6-methoxy-phenyl)methylsulfonyl-(cyanomethyl)amino]ethanethioamide

Systemtic Name: 2-[(2-chloranyl-6-methoxy-phenyl)methylsulfonyl-(cyanomethyl)amino]ethanethioamide Openeye Name: 2-[(2-chloro-6-methoxy-phenyl)methylsulfonyl-(cyanomethyl)amino]thioacetamide CAS Name: 2-[(2-chloro-6-methoxyphenyl)methylsulfonyl-(cyanomethyl)amino]ethanethioamide IUPAC Name: 2-[(2-chloro-6-methoxyphenyl)methylsulfonyl-(cyanomethyl)amino]ethanethioamide Traditional Name: 2-[(2-chloro-6-methoxy-benzyl)sulfonyl-(cyanomethyl)amino]thioacetamide Formula: C12H14ClN3O3S2 MolecularWeight: 347.84086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)Cl)CS(=O)(=O)N(CC#N)CC(=S)N

Isomeric SMILES

COC1=C(C(=CC=C1)Cl)CS(=O)(=O)N(CC#N)CC(=S)N

InChI

InChI=1S/C12H14ClN3O3S2/c1-19-11-4-2-3-10(13)9(11)8-21(17,18)16(6-5-14)7-12(15)20/h2-4H,6-8H2,1H3,(H2,15,20)