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

Systemtic Name: 5-[(E)-but-1-enyl]sulfanyl-1-pyridin-3-yl-1,4-diazepane Openeye Name: 5-[(E)-but-1-enyl]sulfanyl-1-(3-pyridyl)-1,4-diazepane CAS Name: 5-[[(E)-but-1-enyl]thio]-1-(3-pyridinyl)-1,4-diazepane IUPAC Name: 5-[(E)-but-1-enyl]sulfanyl-1-pyridin-3-yl-1,4-diazepane Traditional Name: 5-[[(E)-but-1-enyl]thio]-1-(3-pyridyl)-1,4-diazepane Formula: C14H21N3S MolecularWeight: 263.40164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3S/c1-2-3-11-18-14-6-9-17(10-8-16-14)13-5-4-7-15-12-13/h3-5,7,11-12,14,16H,2,6,8-10H2,1H3/b11-3+