2-cyano-3-[(phenylmethyl)amino]-3-sulfanyl-prop-2-enamide

Systemtic Name: 2-cyano-3-[(phenylmethyl)amino]-3-sulfanyl-prop-2-enamide Openeye Name: 3-(benzylamino)-2-cyano-3-sulfanyl-prop-2-enamide CAS Name: 2-cyano-3-mercapto-3-[(phenylmethyl)amino]-2-propenamide IUPAC Name: 3-(benzylamino)-2-cyano-3-sulfanylprop-2-enamide Traditional Name: 3-(benzylamino)-2-cyano-3-mercapto-acrylamide Formula: C11H11N3OS MolecularWeight: 233.28954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3OS/c12-6-9(10(13)15)11(16)14-7-8-4-2-1-3-5-8/h1-5,14,16H,7H2,(H2,13,15)