2-ethylsulfanyl-3-(ethylsulfanylmethyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine

Systemtic Name: 2-ethylsulfanyl-3-(ethylsulfanylmethyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine Openeye Name: 2-ethylsulfanyl-3-(ethylsulfanylmethyl)-1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepine CAS Name: 2-(ethylthio)-3-[(ethylthio)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine IUPAC Name: 2-ethylsulfanyl-3-(ethylsulfanylmethyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine Traditional Name: 2-(ethylthio)-3-[(ethylthio)methyl]-1-tosyl-2,3-dihydro-1-benzazepine Formula: C22H27NO2S3 MolecularWeight: 433.65028

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1C=CC2=CC=CC=C2N(C1SCC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCSCC1C=CC2=CC=CC=C2N(C1SCC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27NO2S3/c1-4-26-16-19-13-12-18-8-6-7-9-21(18)23(22(19)27-5-2)28(24,25)20-14-10-17(3)11-15-20/h6-15,19,22H,4-5,16H2,1-3H3