5-[3-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]oxycyclohexa-2,4-diene-1-thione

Systemtic Name: 5-[3-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]oxycyclohexa-2,4-diene-1-thione Openeye Name: 5-[[3-(4-methyl-1,4-diazepan-1-yl)-2-pyridyl]oxy]cyclohexa-2,4-diene-1-thione CAS Name: 5-[[3-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]oxy]-1-cyclohexa-2,4-dienethione IUPAC Name: 5-[3-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]oxycyclohexa-2,4-diene-1-thione Traditional Name: 5-[[3-(4-methyl-1,4-diazepan-1-yl)-2-pyridyl]oxy]cyclohexa-2,4-diene-1-thione Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(N=CC=C2)OC3=CC=CC(=S)C3

Isomeric SMILES

CN1CCCN(CC1)C2=C(N=CC=C2)OC3=CC=CC(=S)C3

InChI

InChI=1S/C17H21N3OS/c1-19-9-4-10-20(12-11-19)16-7-3-8-18-17(16)21-14-5-2-6-15(22)13-14/h2-3,5-8H,4,9-13H2,1H3