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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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