N-(2-azido-2-oxidanylidene-ethyl)-2-(phenylmethyl)-3-sulfanyl-propanamide

Systemtic Name: N-(2-azido-2-oxidanylidene-ethyl)-2-(phenylmethyl)-3-sulfanyl-propanamide Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]acetyl azide CAS Name: N-(2-azido-2-oxoethyl)-2-(mercaptomethyl)-3-phenylpropanamide IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]acetyl azide Traditional Name: N-(2-azido-2-keto-ethyl)-2-benzyl-3-mercapto-propionamide Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)N=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)N=[N+]=[N-]

InChI

InChI=1S/C12H14N4O2S/c13-16-15-11(17)7-14-12(18)10(8-19)6-9-4-2-1-3-5-9/h1-5,10,19H,6-8H2,(H,14,18)