1-[(2-bromophenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromophenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromophenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-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=C2Br)N3CCCNCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CC=C2Br)N3CCCNCC3

InChI

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