1-[(4-bromophenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-bromophenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-bromophenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(4-bromophenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(4-bromophenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-bromophenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane Formula: C19H23BrN2S MolecularWeight: 391.36832

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N3CCCNCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N3CCCNCC3

InChI

InChI=1S/C19H23BrN2S/c1-23-18-9-5-16(6-10-18)19(15-3-7-17(20)8-4-15)22-13-2-11-21-12-14-22/h3-10,19,21H,2,11-14H2,1H3