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

Systemtic Name: 3-[(3-pyridin-1-ium-2-yl-1H-pyrazol-5-yl)methyl]cyclohexa-2,4-diene-1-thione chloride Openeye Name: 3-[(3-pyridin-1-ium-2-yl-1H-pyrazol-5-yl)methyl]cyclohexa-2,4-diene-1-thione chloride CAS Name: 3-[[3-(2-pyridin-1-iumyl)-1H-pyrazol-5-yl]methyl]-1-cyclohexa-2,4-dienethione chloride IUPAC Name: 3-[(3-pyridin-1-ium-2-yl-1H-pyrazol-5-yl)methyl]cyclohexa-2,4-diene-1-thione chloride Traditional Name: 3-[(3-pyridin-1-ium-2-yl-1H-pyrazol-5-yl)methyl]cyclohexa-2,4-diene-1-thione chloride Formula: C15H14ClN3S MolecularWeight: 303.80976

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=CC1=S)CC2=CC(=NN2)C3=CC=CC=[NH+]3.[Cl-]

Isomeric SMILES

C1C=CC(=CC1=S)CC2=CC(=NN2)C3=CC=CC=[NH+]3.[Cl-]

InChI

InChI=1S/C15H13N3S.ClH/c19-13-5-3-4-11(9-13)8-12-10-15(18-17-12)14-6-1-2-7-16-14;/h1-4,6-7,9-10H,5,8H2,(H,17,18);1H