3-(6-fluoranyl-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)-2-sulfanylidene-1H-imidazole-4-carboxylate

Systemtic Name: 3-(6-fluoranyl-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: 3-(6-fluoro-2-isopropyl-2-methyl-chroman-4-yl)-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-(6-fluoro-2-methyl-2-propan-2-yl-3,4-dihydro-2H-1-benzopyran-4-yl)-2-sulfanylidene-1H-imidazole-4-carboxylate IUPAC Name: 3-(6-fluoro-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-(6-fluoro-2-isopropyl-2-methyl-chroman-4-yl)-2-thioxo-4-imidazoline-4-carboxylate Formula: C17H18FN2O3S- MolecularWeight: 349.399823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(C2=C(O1)C=CC(=C2)F)N3C(=CNC3=S)C(=O)[O-])C

Isomeric SMILES

CC(C)C1(CC(C2=C(O1)C=CC(=C2)F)N3C(=CNC3=S)C(=O)[O-])C

InChI

InChI=1S/C17H19FN2O3S/c1-9(2)17(3)7-12(11-6-10(18)4-5-14(11)23-17)20-13(15(21)22)8-19-16(20)24/h4-6,8-9,12H,7H2,1-3H3,(H,19,24)(H,21,22)/p-1