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

Systemtic Name: 3-[(3-pyridin-1-ium-1-yl-1H-pyrazol-5-yl)methyl]cyclohexa-2,4-diene-1-thione Openeye Name: 3-[(3-pyridin-1-ium-1-yl-1H-pyrazol-5-yl)methyl]cyclohexa-2,4-diene-1-thione CAS Name: 3-[[3-(1-pyridin-1-iumyl)-1H-pyrazol-5-yl]methyl]-1-cyclohexa-2,4-dienethione IUPAC Name: 3-[(3-pyridin-1-ium-1-yl-1H-pyrazol-5-yl)methyl]cyclohexa-2,4-diene-1-thione Traditional Name: 3-[(3-pyridin-1-ium-1-yl-1H-pyrazol-5-yl)methyl]cyclohexa-2,4-diene-1-thione Formula: C15H14N3S+ MolecularWeight: 268.35676

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=CC1=S)CC2=CC(=NN2)[N+]3=CC=CC=C3

Isomeric SMILES

C1C=CC(=CC1=S)CC2=CC(=NN2)[N+]3=CC=CC=C3

InChI

InChI=1S/C15H14N3S/c19-14-6-4-5-12(10-14)9-13-11-15(17-16-13)18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9H2,(H,16,17)/q+1