2,4-dinitro-6-(phenylmethylsulfanyl)benzamide

Systemtic Name: 2,4-dinitro-6-(phenylmethylsulfanyl)benzamide Openeye Name: 2-benzylsulfanyl-4,6-dinitro-benzamide CAS Name: 2,4-dinitro-6-(phenylmethylthio)benzamide IUPAC Name: 2-benzylsulfanyl-4,6-dinitrobenzamide Traditional Name: 2-(benzylthio)-4,6-dinitro-benzamide Formula: C14H11N3O5S MolecularWeight: 333.31924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=CC(=C2C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=CC(=C2C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O5S/c15-14(18)13-11(17(21)22)6-10(16(19)20)7-12(13)23-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,18)