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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=C(C(=C2)[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=C(C(=C2)[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

InChI

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