6-bromanyl-3-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[(3S)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-6-bromo-quinazolin-4-one CAS Name: 6-bromo-3-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 6-bromo-3-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-[(5S)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-6-bromo-quinazolin-4-one Formula: C21H15BrN4O2S2 MolecularWeight: 499.4034

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br)C5=CC=CS5

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CS2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br)C5=CC=CS5

InChI

InChI=1S/C21H15BrN4O2S2/c22-13-5-6-15-14(9-13)21(28)25(12-23-15)11-20(27)26-17(19-4-2-8-30-19)10-16(24-26)18-3-1-7-29-18/h1-9,12,17H,10-11H2/t17-/m0/s1