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

Systemtic Name: 3-[4-[(5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-3-(4-phenylphenyl)pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(5-oxo-1-phenyl-2-thioxo-imidazolidin-4-ylidene)methyl]-3-(4-phenylphenyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinylidene)methyl]-3-(4-phenylphenyl)-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-3-(4-phenylphenyl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(5-keto-1-phenyl-2-thioxo-imidazolidin-4-ylidene)methyl]-3-(4-phenylphenyl)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)C3=NN(C=C3C=C4C(=O)N(C(=S)N4)C5=CC=CC=C5)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)N4)C5=CC=CC=C5)CCC#N

InChI

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