2-(4-nitrophenyl)sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[(4-nitrophenyl)thio]-N-prop-2-ynylacetamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-propargyl-acetamide Formula: C11H10N2O3S MolecularWeight: 250.2737

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C#CCNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O3S/c1-2-7-12-11(14)8-17-10-5-3-9(4-6-10)13(15)16/h1,3-6H,7-8H2,(H,12,14)