1-[(4-bromophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]indole

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]indole Openeye Name: 1-[(4-bromophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]indole CAS Name: 1-[(4-bromophenyl)methyl]-3-[(4-nitrophenyl)methylthio]indole IUPAC Name: 1-[(4-bromophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]indole Traditional Name: 1-(4-bromobenzyl)-3-[(4-nitrobenzyl)thio]indole Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Br)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Br)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17BrN2O2S/c23-18-9-5-16(6-10-18)13-24-14-22(20-3-1-2-4-21(20)24)28-15-17-7-11-19(12-8-17)25(26)27/h1-12,14H,13,15H2