3-[(2,5-dimethylphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methyl]indole

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methyl]indole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methyl]indole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-1-[(4-nitrophenyl)methyl]indole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methyl]indole Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-1-(4-nitrobenzyl)indole Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O2S/c1-17-7-8-18(2)20(13-17)16-29-24-15-25(23-6-4-3-5-22(23)24)14-19-9-11-21(12-10-19)26(27)28/h3-13,15H,14,16H2,1-2H3