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

Systemtic Name: 6-methyl-3-[1-(phenylmethyl)pyrazol-3-yl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(1-benzylpyrazol-3-yl)-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-3-[1-(phenylmethyl)-3-pyrazolyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-(1-benzylpyrazol-3-yl)-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(1-benzylpyrazol-3-yl)-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C17H14N4OS2 MolecularWeight: 354.44926

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4OS2/c1-11-9-13-15(24-11)18-17(23)21(16(13)22)14-7-8-20(19-14)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,23)