N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(diphenylmethyl)sulfanyl-propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(diphenylmethyl)sulfanyl-propanamide Openeye Name: 3-benzhydrylsulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(diphenylmethyl)thio]propanamide IUPAC Name: 3-benzhydrylsulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: 3-(benzhydrylthio)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2S/c1-20-25(27(32)30(29(20)2)23-16-10-5-11-17-23)28-24(31)18-19-33-26(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,26H,18-19H2,1-2H3,(H,28,31)