N-[(3-nitrophenyl)methyl]-2-sulfanyl-benzamide

Systemtic Name: N-[(3-nitrophenyl)methyl]-2-sulfanyl-benzamide Openeye Name: N-[(3-nitrophenyl)methyl]-2-sulfanyl-benzamide CAS Name: 2-mercapto-N-[(3-nitrophenyl)methyl]benzamide IUPAC Name: N-[(3-nitrophenyl)methyl]-2-sulfanylbenzamide Traditional Name: 2-mercapto-N-(3-nitrobenzyl)benzamide Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC(=CC=C2)[N+](=O)[O-])S

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC(=CC=C2)[N+](=O)[O-])S

InChI

InChI=1S/C14H12N2O3S/c17-14(12-6-1-2-7-13(12)20)15-9-10-4-3-5-11(8-10)16(18)19/h1-8,20H,9H2,(H,15,17)