1-[1-(4-methylsulfanylphenyl)-2-pyridin-2-yl-ethyl]-1,4-diazepane

Systemtic Name: 1-[1-(4-methylsulfanylphenyl)-2-pyridin-2-yl-ethyl]-1,4-diazepane Openeye Name: 1-[1-(4-methylsulfanylphenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane CAS Name: 1-[1-[4-(methylthio)phenyl]-2-(2-pyridinyl)ethyl]-1,4-diazepane IUPAC Name: 1-[1-(4-methylsulfanylphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane Traditional Name: 1-[1-[4-(methylthio)phenyl]-2-(2-pyridyl)ethyl]-1,4-diazepane Formula: C19H25N3S MolecularWeight: 327.4869

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(CC2=CC=CC=N2)N3CCCNCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(CC2=CC=CC=N2)N3CCCNCC3

InChI

InChI=1S/C19H25N3S/c1-23-18-8-6-16(7-9-18)19(15-17-5-2-3-11-21-17)22-13-4-10-20-12-14-22/h2-3,5-9,11,19-20H,4,10,12-15H2,1H3