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

Systemtic Name: N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(3-methyl-1,1-dioxo-thiolan-3-yl)pyrazole-4-carboxamide CAS Name: N-(3-methyl-1,1-dioxo-3-thiolanyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(1,1-diketo-3-methyl-thiolan-3-yl)pyrazole-4-carboxamide Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C16H19N3O3S/c1-16(7-8-23(21,22)12-16)18-15(20)14-9-17-19(11-14)10-13-5-3-2-4-6-13/h2-6,9,11H,7-8,10,12H2,1H3,(H,18,20)