2-cyano-3-(phenylmethylsulfanyl)-3-sulfanyl-prop-2-enamide

Systemtic Name: 2-cyano-3-(phenylmethylsulfanyl)-3-sulfanyl-prop-2-enamide Openeye Name: 3-benzylsulfanyl-2-cyano-3-sulfanyl-prop-2-enamide CAS Name: 2-cyano-3-mercapto-3-(phenylmethylthio)-2-propenamide IUPAC Name: 3-benzylsulfanyl-2-cyano-3-sulfanylprop-2-enamide Traditional Name: 3-(benzylthio)-2-cyano-3-mercapto-acrylamide Formula: C11H10N2OS2 MolecularWeight: 250.3399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=C(C#N)C(=O)N)S

Isomeric SMILES

C1=CC=C(C=C1)CSC(=C(C#N)C(=O)N)S

InChI

InChI=1S/C11H10N2OS2/c12-6-9(10(13)14)11(15)16-7-8-4-2-1-3-5-8/h1-5,15H,7H2,(H2,13,14)