5-methyl-2-phenyl-4-propylsulfanylcarbothioyl-pyrazol-3-olate

Systemtic Name: 5-methyl-2-phenyl-4-propylsulfanylcarbothioyl-pyrazol-3-olate Openeye Name: 5-methyl-2-phenyl-4-propylsulfanylcarbothioyl-pyrazol-3-olate CAS Name: 5-methyl-2-phenyl-4-[(propylthio)-sulfanylidenemethyl]-3-pyrazololate IUPAC Name: 5-methyl-2-phenyl-4-propylsulfanylcarbothioylpyrazol-3-olate Traditional Name: 5-methyl-2-phenyl-4-(propylthio)carbothioyl-pyrazol-3-olate Formula: C14H15N2OS2- MolecularWeight: 291.4117

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=S)C1=C(N(N=C1C)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCSC(=S)C1=C(N(N=C1C)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C14H16N2OS2/c1-3-9-19-14(18)12-10(2)15-16(13(12)17)11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3/p-1