N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[1-(m-tolyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[1-(3-methylphenyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[[1-(m-tolyl)benzimidazol-2-yl]thio]propionamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SCCC(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SCCC(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C28H27N5O2S/c1-19-10-9-13-22(18-19)32-24-15-8-7-14-23(24)29-28(32)36-17-16-25(34)30-26-20(2)31(3)33(27(26)35)21-11-5-4-6-12-21/h4-15,18H,16-17H2,1-3H3,(H,30,34)