N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H20FN5O2S MolecularWeight: 485.532703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5)NC1=S

InChI

InChI=1S/C26H20FN5O2S/c1-31-25(34)21-12-9-17(13-22(21)29-26(31)35)24(33)28-14-18-15-32(20-5-3-2-4-6-20)30-23(18)16-7-10-19(27)11-8-16/h2-13,15H,14H2,1H3,(H,28,33)(H,29,35)