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

Systemtic Name: 4-oxidanylidene-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-phenyl-N-[(1-phenyl-4-pyrazolyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H19N5O2S MolecularWeight: 453.51566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=CC=C5

InChI

InChI=1S/C25H19N5O2S/c31-23(26-14-17-15-27-29(16-17)19-7-3-1-4-8-19)18-11-12-21-22(13-18)28-25(33)30(24(21)32)20-9-5-2-6-10-20/h1-13,15-16H,14H2,(H,26,31)(H,28,33)