N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-4-thiophen-2-yl-butanamide Openeye Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]-4-(2-thienyl)butanamide CAS Name: N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-4-thiophen-2-ylbutanamide Traditional Name: N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]-4-(2-thienyl)butyramide Formula: C16H21N3O3S2 MolecularWeight: 367.48624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CCCC2=CC=CS2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CCCC2=CC=CS2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C16H21N3O3S2/c1-12-10-15(19(18-12)13-7-9-24(21,22)11-13)17-16(20)6-2-4-14-5-3-8-23-14/h3,5,8,10,13H,2,4,6-7,9,11H2,1H3,(H,17,20)