N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(1,1-dioxothiolan-3-yl)-3-phenyl-pyrazole-4-carboxamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(1,1-dioxothiolan-3-yl)-3-phenylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(1,1-diketothiolan-3-yl)-3-phenyl-pyrazole-4-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S/c25-21(22-18-11-12-28(26,27)15-18)19-14-24(13-16-7-3-1-4-8-16)23-20(19)17-9-5-2-6-10-17/h1-10,14,18H,11-13,15H2,(H,22,25)