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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[1-(4-chlorobenzyl)pyrazol-3-yl]-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C17H13ClN4OS2 MolecularWeight: 388.89432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4OS2/c1-10-8-13-15(25-10)19-17(24)22(16(13)23)14-6-7-21(20-14)9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,19,24)