N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-4-(3,5-dimethylpyrazol-1-yl)benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-4-(3,5-dimethylpyrazol-1-yl)benzamide Openeye Name: N-butyl-4-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)benzamide CAS Name: N-butyl-4-(3,5-dimethyl-1-pyrazolyl)-N-(1,1-dioxo-3-thiolanyl)benzamide IUPAC Name: N-butyl-4-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)benzamide Traditional Name: N-butyl-N-(1,1-diketothiolan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C

Isomeric SMILES

CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C

InChI

InChI=1S/C20H27N3O3S/c1-4-5-11-22(19-10-12-27(25,26)14-19)20(24)17-6-8-18(9-7-17)23-16(3)13-15(2)21-23/h6-9,13,19H,4-5,10-12,14H2,1-3H3