[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-(5-ethyl-1-phenyl-pyrazol-4-yl)methanone

Systemtic Name: [4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-(5-ethyl-1-phenyl-pyrazol-4-yl)methanone Openeye Name: [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(5-ethyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: [4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]-(5-ethyl-1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(5-ethyl-1-phenylpyrazol-4-yl)methanone Traditional Name: [4-(1,1-diketothiolan-3-yl)piperazino]-(5-ethyl-1-phenyl-pyrazol-4-yl)methanone Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

CCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C20H26N4O3S/c1-2-19-18(14-21-24(19)16-6-4-3-5-7-16)20(25)23-11-9-22(10-12-23)17-8-13-28(26,27)15-17/h3-7,14,17H,2,8-13,15H2,1H3