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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C18H15ClN4OS2 MolecularWeight: 402.9209

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)N3C(=O)C4=C(NC3=S)SC(=C4)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)N3C(=O)C4=C(NC3=S)SC(=C4)C

InChI

InChI=1S/C18H15ClN4OS2/c1-10-7-15(21-22(10)9-12-3-5-13(19)6-4-12)23-17(24)14-8-11(2)26-16(14)20-18(23)25/h3-8H,9H2,1-2H3,(H,20,25)