1-[(5-bromanylthiophen-2-yl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane Formula: C17H21BrN2S2 MolecularWeight: 397.39604

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCNCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCNCC3

InChI

InChI=1S/C17H21BrN2S2/c1-21-14-5-3-13(4-6-14)17(15-7-8-16(18)22-15)20-11-2-9-19-10-12-20/h3-8,17,19H,2,9-12H2,1H3