N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-6-bromanyl-2H-chromene-3-carboxamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-6-bromanyl-2H-chromene-3-carboxamide Openeye Name: 6-bromo-N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]-2H-chromene-3-carboxamide CAS Name: 6-bromo-N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]-2H-1-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-2H-chromene-3-carboxamide Traditional Name: 6-bromo-N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]-2H-chromene-3-carboxamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2)C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2)C4CCS(=O)(=O)C4

InChI

InChI=1S/C18H18BrN3O4S/c1-11-6-17(22(21-11)15-4-5-27(24,25)10-15)20-18(23)13-7-12-8-14(19)2-3-16(12)26-9-13/h2-3,6-8,15H,4-5,9-10H2,1H3,(H,20,23)