1-(3-methyl-1-phenyl-5-sulfanylidene-4H-pyrazol-4-yl)hexan-1-one

Systemtic Name: 1-(3-methyl-1-phenyl-5-sulfanylidene-4H-pyrazol-4-yl)hexan-1-one Openeye Name: 1-(3-methyl-1-phenyl-5-thioxo-4H-pyrazol-4-yl)hexan-1-one CAS Name: 1-(3-methyl-1-phenyl-5-sulfanylidene-4H-pyrazol-4-yl)-1-hexanone IUPAC Name: 1-(3-methyl-1-phenyl-5-sulfanylidene-4H-pyrazol-4-yl)hexan-1-one Traditional Name: 1-(3-methyl-1-phenyl-5-thioxo-2-pyrazolin-4-yl)hexan-1-one Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1C(=NN(C1=S)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCC(=O)C1C(=NN(C1=S)C2=CC=CC=C2)C

InChI

InChI=1S/C16H20N2OS/c1-3-4-6-11-14(19)15-12(2)17-18(16(15)20)13-9-7-5-8-10-13/h5,7-10,15H,3-4,6,11H2,1-2H3