(phenylmethyl) 3-azanyl-2-cyano-3-oxidanylidene-propanedithioate

Systemtic Name: (phenylmethyl) 3-azanyl-2-cyano-3-oxidanylidene-propanedithioate Openeye Name: benzyl 3-amino-2-cyano-3-oxo-propanedithioate CAS Name: 3-amino-2-cyano-3-oxopropanedithioic acid (phenylmethyl) ester IUPAC Name: benzyl 3-amino-2-cyano-3-oxopropanedithioate Traditional Name: 3-amino-2-cyano-3-keto-propanedithioic acid benzyl ester Formula: C11H10N2OS2 MolecularWeight: 250.3399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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