1-(5-phenylsulfanylpyridin-3-yl)-1,4-diazepane

Systemtic Name: 1-(5-phenylsulfanylpyridin-3-yl)-1,4-diazepane Openeye Name: 1-(5-phenylsulfanyl-3-pyridyl)-1,4-diazepane CAS Name: 1-[5-(phenylthio)-3-pyridinyl]-1,4-diazepane IUPAC Name: 1-(5-phenylsulfanylpyridin-3-yl)-1,4-diazepane Traditional Name: 1-[5-(phenylthio)-3-pyridyl]-1,4-diazepane Formula: C16H19N3S MolecularWeight: 285.40716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC(=CN=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CNCCN(C1)C2=CC(=CN=C2)SC3=CC=CC=C3

InChI

InChI=1S/C16H19N3S/c1-2-5-15(6-3-1)20-16-11-14(12-18-13-16)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2