N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C27H22FN5O2S MolecularWeight: 499.559283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)CCN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)CCN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C27H22FN5O2S/c28-20-12-10-18(11-13-20)25-19(17-33(31-25)21-6-2-1-3-7-21)16-29-24(34)14-15-32-26(35)22-8-4-5-9-23(22)30-27(32)36/h1-13,17H,14-16H2,(H,29,34)(H,30,36)