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

Systemtic Name: 3-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C17H12BrClN4OS2 MolecularWeight: 467.79038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)NC(=S)N(C2=O)C3=NN(C=C3Br)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(S1)NC(=S)N(C2=O)C3=NN(C=C3Br)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H12BrClN4OS2/c1-9-6-12-15(26-9)20-17(25)23(16(12)24)14-13(18)8-22(21-14)7-10-2-4-11(19)5-3-10/h2-6,8H,7H2,1H3,(H,20,25)