N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-[(2,4-dimethylphenyl)sulfanylmethyl]benzamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-[(2,4-dimethylphenyl)sulfanylmethyl]benzamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-[(2,4-dimethylphenyl)sulfanylmethyl]benzamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-[[(2,4-dimethylphenyl)thio]methyl]benzamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(2,4-dimethylphenyl)sulfanylmethyl]benzamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-[[(2,4-dimethylphenyl)thio]methyl]benzamide Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C)C

InChI

InChI=1S/C27H27N3OS/c1-18-13-14-25(19(2)15-18)32-17-22-9-8-10-23(16-22)27(31)28-26-20(3)29-30(21(26)4)24-11-6-5-7-12-24/h5-16H,17H2,1-4H3,(H,28,31)