1-[(4-methylsulfanylphenyl)-pyridin-3-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(4-methylsulfanylphenyl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-methylsulfanylphenyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[[4-(methylthio)phenyl]-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylsulfanylphenyl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[[4-(methylthio)phenyl]-(3-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=CN=CC=C2)N3CCCNCC3

Isomeric SMILES

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

InChI

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