(4E)-4-(4-methyl-1,3-dithian-2-ylidene)-2-phenyl-5-propyl-pyrazol-3-one

Systemtic Name: (4E)-4-(4-methyl-1,3-dithian-2-ylidene)-2-phenyl-5-propyl-pyrazol-3-one Openeye Name: (4E)-4-(4-methyl-1,3-dithian-2-ylidene)-2-phenyl-5-propyl-pyrazol-3-one CAS Name: (4E)-4-(4-methyl-1,3-dithian-2-ylidene)-2-phenyl-5-propyl-3-pyrazolone IUPAC Name: (4E)-4-(4-methyl-1,3-dithian-2-ylidene)-2-phenyl-5-propylpyrazol-3-one Traditional Name: (4E)-4-(4-methyl-1,3-dithian-2-ylidene)-2-phenyl-5-propyl-2-pyrazolin-3-one Formula: C17H20N2OS2 MolecularWeight: 332.4835

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2SCCC(S2)C)C3=CC=CC=C3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\SCCC(S2)C)C3=CC=CC=C3

InChI

InChI=1S/C17H20N2OS2/c1-3-7-14-15(17-21-11-10-12(2)22-17)16(20)19(18-14)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3/b17-15+