sodium cyano-[methyl-[2-(phenylmethylsulfanyl)ethyl]carbamoyl]azanide

Systemtic Name: sodium cyano-[methyl-[2-(phenylmethylsulfanyl)ethyl]carbamoyl]azanide Openeye Name: sodium [2-benzylsulfanylethyl(methyl)carbamoyl]-cyano-azanide CAS Name: sodium cyano-[[methyl-[2-(phenylmethylthio)ethyl]amino]-oxomethyl]azanide IUPAC Name: sodium [2-benzylsulfanylethyl(methyl)carbamoyl]-cyanoazanide Traditional Name: sodium [2-(benzylthio)ethyl-methyl-carbamoyl]-cyano-azanide Formula: C12H14N3NaOS MolecularWeight: 271.31383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCSCC1=CC=CC=C1)C(=O)[N-]C#N.[Na+]

Isomeric SMILES

CN(CCSCC1=CC=CC=C1)C(=O)[N-]C#N.[Na+]

InChI

InChI=1S/C12H15N3OS.Na/c1-15(12(16)14-10-13)7-8-17-9-11-5-3-2-4-6-11;/h2-6H,7-9H2,1H3,(H,14,16);/q;+1/p-1