1-[(3-bromophenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-bromophenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-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(=CC=C2)Br)N3CCCNCC3

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2S/c1-23-18-8-6-15(7-9-18)19(16-4-2-5-17(20)14-16)22-12-3-10-21-11-13-22/h2,4-9,14,19,21H,3,10-13H2,1H3