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

Systemtic Name: 1-methyl-3-[(4-nitrophenyl)methylsulfanyl]indole Openeye Name: 1-methyl-3-[(4-nitrophenyl)methylsulfanyl]indole CAS Name: 1-methyl-3-[(4-nitrophenyl)methylthio]indole IUPAC Name: 1-methyl-3-[(4-nitrophenyl)methylsulfanyl]indole Traditional Name: 1-methyl-3-[(4-nitrobenzyl)thio]indole Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O2S/c1-17-10-16(14-4-2-3-5-15(14)17)21-11-12-6-8-13(9-7-12)18(19)20/h2-10H,11H2,1H3