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

Systemtic Name: N-(4-bromophenyl)-2,6-dinitro-4-(phenylmethylsulfanyl)benzamide Openeye Name: 4-benzylsulfanyl-N-(4-bromophenyl)-2,6-dinitro-benzamide CAS Name: N-(4-bromophenyl)-2,6-dinitro-4-(phenylmethylthio)benzamide IUPAC Name: 4-benzylsulfanyl-N-(4-bromophenyl)-2,6-dinitrobenzamide Traditional Name: 4-(benzylthio)-N-(4-bromophenyl)-2,6-dinitro-benzamide Formula: C20H14BrN3O5S MolecularWeight: 488.31126

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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)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=C(C(=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H14BrN3O5S/c21-14-6-8-15(9-7-14)22-20(25)19-17(23(26)27)10-16(11-18(19)24(28)29)30-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,22,25)