1-[(4-nitrophenyl)methyl]-3-(phenylmethylsulfanyl)indole

Systemtic Name: 1-[(4-nitrophenyl)methyl]-3-(phenylmethylsulfanyl)indole Openeye Name: 3-benzylsulfanyl-1-[(4-nitrophenyl)methyl]indole CAS Name: 1-[(4-nitrophenyl)methyl]-3-(phenylmethylthio)indole IUPAC Name: 3-benzylsulfanyl-1-[(4-nitrophenyl)methyl]indole Traditional Name: 3-(benzylthio)-1-(4-nitrobenzyl)indole Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O2S/c25-24(26)19-12-10-17(11-13-19)14-23-15-22(20-8-4-5-9-21(20)23)27-16-18-6-2-1-3-7-18/h1-13,15H,14,16H2