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1-ethyl-2-methyl-3,5-diphenyl-4-propan-2-ylsulfanyl-pyrazol-2-ium chloride

1-ethyl-2-methyl-3,5-diphenyl-4-propan-2-ylsulfanyl-pyrazol-2-ium chloride

Systemtic Name:1-ethyl-2-methyl-3,5-diphenyl-4-propan-2-ylsulfanyl-pyrazol-2-ium chloride
Openeye Name:1-ethyl-4-isopropylsulfanyl-2-methyl-3,5-diphenyl-pyrazol-2-ium chloride
CAS Name:1-ethyl-2-methyl-3,5-diphenyl-4-(propan-2-ylthio)pyrazol-2-ium chloride
IUPAC Name:1-ethyl-2-methyl-3,5-diphenyl-4-propan-2-ylsulfanylpyrazol-2-ium chloride
Traditional Name:1-ethyl-4-(isopropylthio)-2-methyl-3,5-diphenyl-pyrazol-2-ium chloride
Formula: C21H25ClN2S
MolecularWeight: 372.9546
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=[N+]1C)C2=CC=CC=C2)SC(C)C)C3=CC=CC=C3.[Cl-]


Isomeric SMILES

CCN1C(=C(C(=[N+]1C)C2=CC=CC=C2)SC(C)C)C3=CC=CC=C3.[Cl-]


InChI

InChI=1S/C21H25N2S.ClH/c1-5-23-20(18-14-10-7-11-15-18)21(24-16(2)3)19(22(23)4)17-12-8-6-9-13-17;/h6-16H,5H2,1-4H3;1H/q+1;/p-1


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