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

Systemtic Name: 3-[4-[[5-oxidanylidene-1-(4-phenylphenyl)-2-sulfanylidene-imidazolidin-4-ylidene]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[[5-oxo-1-(4-phenylphenyl)-2-thioxo-imidazolidin-4-ylidene]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[[5-oxo-1-(4-phenylphenyl)-2-sulfanylidene-4-imidazolidinylidene]methyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[[5-oxo-1-(4-phenylphenyl)-2-sulfanylideneimidazolidin-4-ylidene]methyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[[5-keto-1-(4-phenylphenyl)-2-thioxo-imidazolidin-4-ylidene]methyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C28H21N5OS MolecularWeight: 475.56424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C(=O)C(=CC4=CN(N=C4C5=CC=CC=C5)CCC#N)NC3=S

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C(=O)C(=CC4=CN(N=C4C5=CC=CC=C5)CCC#N)NC3=S

InChI

InChI=1S/C28H21N5OS/c29-16-7-17-32-19-23(26(31-32)22-10-5-2-6-11-22)18-25-27(34)33(28(35)30-25)24-14-12-21(13-15-24)20-8-3-1-4-9-20/h1-6,8-15,18-19H,7,17H2,(H,30,35)