N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[2-(diphenylmethyl)oxyethylsulfanyl]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[2-(diphenylmethyl)oxyethylsulfanyl]ethanamide Openeye Name: 2-(2-benzhydryloxyethylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[2-(diphenylmethyl)oxyethylthio]acetamide IUPAC Name: 2-(2-benzhydryloxyethylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(2-benzhydryloxyethylthio)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCCOC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCCOC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3S/c1-21-26(28(33)31(30(21)2)24-16-10-5-11-17-24)29-25(32)20-35-19-18-34-27(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,27H,18-20H2,1-2H3,(H,29,32)