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

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-1,4-diazepane CAS Name: 1-[[4-(methylthio)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[4-(methylthio)benzyl]-1,4-diazepane Formula: C13H20N2S MolecularWeight: 236.3763

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCCNCC2

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCCNCC2

InChI

InChI=1S/C13H20N2S/c1-16-13-5-3-12(4-6-13)11-15-9-2-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3