N-(3-ethynylphenyl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(3-ethynylphenyl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(3-ethynylphenyl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-(3-ethynylphenyl)-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(3-ethynylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(3-ethynylphenyl)-2-[(4-nitrophenyl)thio]propionamide Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O3S/c1-3-13-5-4-6-14(11-13)18-17(20)12(2)23-16-9-7-15(8-10-16)19(21)22/h1,4-12H,2H3,(H,18,20)