N-[(4-cyanophenyl)methyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[(4-cyanophenyl)methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[(4-cyanophenyl)methyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[(4-cyanophenyl)methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(4-cyanobenzyl)-2-[(4-nitrophenyl)thio]propionamide Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C#N)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C#N)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3S/c1-12(24-16-8-6-15(7-9-16)20(22)23)17(21)19-11-14-4-2-13(10-18)3-5-14/h2-9,12H,11H2,1H3,(H,19,21)