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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-pyridin-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-methylsulfanylphenyl)-(2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[[4-(methylthio)phenyl]-(2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylsulfanylphenyl)-pyridin-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[[4-(methylthio)phenyl]-(2-pyridyl)methyl]-1,4-diazepane Formula: C18H23N3S MolecularWeight: 313.46032

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=CC=N2)N3CCCNCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CC=N2)N3CCCNCC3

InChI

InChI=1S/C18H23N3S/c1-22-16-8-6-15(7-9-16)18(17-5-2-3-11-20-17)21-13-4-10-19-12-14-21/h2-3,5-9,11,18-19H,4,10,12-14H2,1H3