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

Systemtic Name: 4-(1,3-dithian-2-ylidene)-2-phenyl-5-propyl-pyrazol-3-one Openeye Name: 4-(1,3-dithian-2-ylidene)-2-phenyl-5-propyl-pyrazol-3-one CAS Name: 4-(1,3-dithian-2-ylidene)-2-phenyl-5-propyl-3-pyrazolone IUPAC Name: 4-(1,3-dithian-2-ylidene)-2-phenyl-5-propylpyrazol-3-one Traditional Name: 4-(1,3-dithian-2-ylidene)-2-phenyl-5-propyl-2-pyrazolin-3-one Formula: C16H18N2OS2 MolecularWeight: 318.45692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2SCCCS2)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NN(C(=O)C1=C2SCCCS2)C3=CC=CC=C3

InChI

InChI=1S/C16H18N2OS2/c1-2-7-13-14(16-20-10-6-11-21-16)15(19)18(17-13)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3