7-phenyl-4-(4-pyridin-4-ylbutyl)-1,4-thiazepane

Systemtic Name: 7-phenyl-4-(4-pyridin-4-ylbutyl)-1,4-thiazepane Openeye Name: 7-phenyl-4-[4-(4-pyridyl)butyl]-1,4-thiazepane CAS Name: 7-phenyl-4-(4-pyridin-4-ylbutyl)-1,4-thiazepane IUPAC Name: 7-phenyl-4-(4-pyridin-4-ylbutyl)-1,4-thiazepane Traditional Name: 7-phenyl-4-[4-(4-pyridyl)butyl]-1,4-thiazepane Formula: C20H26N2S MolecularWeight: 326.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCSC1C2=CC=CC=C2)CCCCC3=CC=NC=C3

Isomeric SMILES

C1CN(CCSC1C2=CC=CC=C2)CCCCC3=CC=NC=C3

InChI

InChI=1S/C20H26N2S/c1-2-7-19(8-3-1)20-11-15-22(16-17-23-20)14-5-4-6-18-9-12-21-13-10-18/h1-3,7-10,12-13,20H,4-6,11,14-17H2