N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]propanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]propanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]propanamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-2-[(1,3-diphenyl-4-pyrazolyl)methylthio]propanamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]propanamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2-[(1,3-diphenylpyrazol-4-yl)methylthio]propionamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCS(=O)(=O)C1)SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1CCS(=O)(=O)C1)SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S2/c1-17(23(27)24-20-12-13-31(28,29)16-20)30-15-19-14-26(21-10-6-3-7-11-21)25-22(19)18-8-4-2-5-9-18/h2-11,14,17,20H,12-13,15-16H2,1H3,(H,24,27)