[4-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-morpholin-4-yl-methanone

Systemtic Name: [4-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-morpholin-4-yl-methanone Openeye Name: [4-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-morpholino-methanone CAS Name: [4-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-morpholinyl)methanone IUPAC Name: [4-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-morpholin-4-ylmethanone Traditional Name: [4-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-morpholino-methanone Formula: C25H24BrN5O2S MolecularWeight: 538.45936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C(=O)N5CCOCC5

InChI

InChI=1S/C25H24BrN5O2S/c1-16-21(24(32)30-11-13-33-14-12-30)23(28-25(34)27-16)20-15-31(19-5-3-2-4-6-19)29-22(20)17-7-9-18(26)10-8-17/h2-10,15,23H,11-14H2,1H3,(H2,27,28,34)