5-[(E)-prop-1-enyl]sulfanyl-1-pyridin-3-yl-1,4-diazepane

Systemtic Name: 5-[(E)-prop-1-enyl]sulfanyl-1-pyridin-3-yl-1,4-diazepane Openeye Name: 5-[(E)-prop-1-enyl]sulfanyl-1-(3-pyridyl)-1,4-diazepane CAS Name: 5-[[(E)-prop-1-enyl]thio]-1-(3-pyridinyl)-1,4-diazepane IUPAC Name: 5-[(E)-prop-1-enyl]sulfanyl-1-pyridin-3-yl-1,4-diazepane Traditional Name: 5-[[(E)-prop-1-enyl]thio]-1-(3-pyridyl)-1,4-diazepane Formula: C13H19N3S MolecularWeight: 249.37506

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Descriptors Computed from Structure

Canonical SMILES:

CC=CSC1CCN(CCN1)C2=CN=CC=C2

Isomeric SMILES

C/C=C/SC1CCN(CCN1)C2=CN=CC=C2

InChI

InChI=1S/C13H19N3S/c1-2-10-17-13-5-8-16(9-7-15-13)12-4-3-6-14-11-12/h2-4,6,10-11,13,15H,5,7-9H2,1H3/b10-2+