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

Systemtic Name: 5-[[3-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]methyl]cyclohexa-2,4-diene-1-thione Openeye Name: 5-[[3-(4-methyl-1,4-diazepan-1-yl)-2-pyridyl]methyl]cyclohexa-2,4-diene-1-thione CAS Name: 5-[[3-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]-1-cyclohexa-2,4-dienethione IUPAC Name: 5-[[3-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]methyl]cyclohexa-2,4-diene-1-thione Traditional Name: 5-[[3-(4-methyl-1,4-diazepan-1-yl)-2-pyridyl]methyl]cyclohexa-2,4-diene-1-thione Formula: C18H23N3S MolecularWeight: 313.46032

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(N=CC=C2)CC3=CC=CC(=S)C3

Isomeric SMILES

CN1CCCN(CC1)C2=C(N=CC=C2)CC3=CC=CC(=S)C3

InChI

InChI=1S/C18H23N3S/c1-20-9-4-10-21(12-11-20)18-7-3-8-19-17(18)14-15-5-2-6-16(22)13-15/h2-3,5-8H,4,9-14H2,1H3