4-[3-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[3-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[3-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[3-[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[3-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[3-[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C

InChI

InChI=1S/C28H29N5O2S/c1-6-31-24-15-11-10-14-23(24)29-28(31)36-17-25(34)22-16-18(2)32(19(22)3)26-20(4)30(5)33(27(26)35)21-12-8-7-9-13-21/h7-16H,6,17H2,1-5H3