1-[5-(cyclopenta-2,4-dien-1-ylmethylsulfanyl)pyridin-3-yl]-1,4-diazepane

Systemtic Name: 1-[5-(cyclopenta-2,4-dien-1-ylmethylsulfanyl)pyridin-3-yl]-1,4-diazepane Openeye Name: 1-[5-(cyclopenta-2,4-dien-1-ylmethylsulfanyl)-3-pyridyl]-1,4-diazepane CAS Name: 1-[5-(1-cyclopenta-2,4-dienylmethylthio)-3-pyridinyl]-1,4-diazepane IUPAC Name: 1-[5-(cyclopenta-2,4-dien-1-ylmethylsulfanyl)pyridin-3-yl]-1,4-diazepane Traditional Name: 1-[5-(cyclopenta-2,4-dien-1-ylmethylthio)-3-pyridyl]-1,4-diazepane Formula: C16H21N3S MolecularWeight: 287.42304

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC(=CN=C2)SCC3C=CC=C3

Isomeric SMILES

C1CNCCN(C1)C2=CC(=CN=C2)SCC3C=CC=C3

InChI

InChI=1S/C16H21N3S/c1-2-5-14(4-1)13-20-16-10-15(11-18-12-16)19-8-3-6-17-7-9-19/h1-2,4-5,10-12,14,17H,3,6-9,13H2