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

Systemtic Name: 2,6-dinitro-N-(phenylmethyl)-4-(phenylmethylsulfanyl)benzamide Openeye Name: N-benzyl-4-benzylsulfanyl-2,6-dinitro-benzamide CAS Name: 2,6-dinitro-N-(phenylmethyl)-4-(phenylmethylthio)benzamide IUPAC Name: N-benzyl-4-benzylsulfanyl-2,6-dinitrobenzamide Traditional Name: N-benzyl-4-(benzylthio)-2,6-dinitro-benzamide Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2[N+](=O)[O-])SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2[N+](=O)[O-])SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S/c25-21(22-13-15-7-3-1-4-8-15)20-18(23(26)27)11-17(12-19(20)24(28)29)30-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,22,25)