1-[5-(phenylmethylsulfanyl)pyridin-3-yl]-1,4-diazepane

Systemtic Name: 1-[5-(phenylmethylsulfanyl)pyridin-3-yl]-1,4-diazepane Openeye Name: 1-(5-benzylsulfanyl-3-pyridyl)-1,4-diazepane CAS Name: 1-[5-(phenylmethylthio)-3-pyridinyl]-1,4-diazepane IUPAC Name: 1-(5-benzylsulfanylpyridin-3-yl)-1,4-diazepane Traditional Name: 1-[5-(benzylthio)-3-pyridyl]-1,4-diazepane Formula: C17H21N3S MolecularWeight: 299.43374

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC(=CN=C2)SCC3=CC=CC=C3

Isomeric SMILES

C1CNCCN(C1)C2=CC(=CN=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H21N3S/c1-2-5-15(6-3-1)14-21-17-11-16(12-19-13-17)20-9-4-7-18-8-10-20/h1-3,5-6,11-13,18H,4,7-10,14H2