2-[[[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-ethyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-ethyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[[2-[(3S)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-ethyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-ethylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-ethylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[[2-[(5S)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-ethyl-amino]methyl]-1H-quinazolin-4-one Formula: C24H23N5O2S2 MolecularWeight: 477.60172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N3[C@@H](CC(=N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C24H23N5O2S2/c1-2-28(14-22-25-17-8-4-3-7-16(17)24(31)26-22)15-23(30)29-19(21-10-6-12-33-21)13-18(27-29)20-9-5-11-32-20/h3-12,19H,2,13-15H2,1H3,(H,25,26,31)/t19-/m0/s1