3-[4-[(E)-(5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-(5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-(5-oxo-1-phenyl-2-thioxo-imidazolidin-4-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-(5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinylidene)methyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-(5-keto-1-phenyl-2-thioxo-imidazolidin-4-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C22H17N5OS MolecularWeight: 399.46828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)N3)C4=CC=CC=C4)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)N3)C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C22H17N5OS/c23-12-7-13-26-15-17(20(25-26)16-8-3-1-4-9-16)14-19-21(28)27(22(29)24-19)18-10-5-2-6-11-18/h1-6,8-11,14-15H,7,13H2,(H,24,29)/b19-14+