3-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-ethyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-ethyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-ethyl-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-5-ethyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-ethyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]-5-ethyl-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C19H16BrClN4OS2 MolecularWeight: 495.84354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=S)N2)C3=NN(C=C3Br)CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=S)N2)C3=NN(C=C3Br)CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C19H16BrClN4OS2/c1-3-13-10(2)28-17-15(13)18(26)25(19(27)22-17)16-14(20)9-24(23-16)8-11-4-6-12(21)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,22,27)