2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide

Systemtic Name: 2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide Openeye Name: 2-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanyl-N-[(1S)-1-(2-pyridyl)ethyl]benzamide CAS Name: 2-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]thio]-N-[(1S)-1-(2-pyridinyl)ethyl]benzamide IUPAC Name: 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide Traditional Name: 2-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]thio]-N-[(1S)-1-(2-pyridyl)ethyl]benzamide Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3C(=O)NC(C)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=CC=CC=C3C(=O)N[C@@H](C)C4=CC=CC=N4

InChI

InChI=1S/C27H27N5O3S/c1-18(22-14-9-10-16-28-22)29-26(34)21-13-7-8-15-23(21)36-17-24(33)30-25-19(2)31(3)32(27(25)35)20-11-5-4-6-12-20/h4-16,18H,17H2,1-3H3,(H,29,34)(H,30,33)/t18-/m0/s1