3-[6-[3-methyl-1-(triphenylmethyl)pyrazol-4-yl]quinazolin-4-yl]thiophene-2-sulfonic acid

Systemtic Name: 3-[6-[3-methyl-1-(triphenylmethyl)pyrazol-4-yl]quinazolin-4-yl]thiophene-2-sulfonic acid Openeye Name: 3-[6-(3-methyl-1-trityl-pyrazol-4-yl)quinazolin-4-yl]thiophene-2-sulfonic acid CAS Name: 3-[6-[3-methyl-1-(triphenylmethyl)-4-pyrazolyl]-4-quinazolinyl]-2-thiophenesulfonic acid IUPAC Name: 3-[6-(3-methyl-1-tritylpyrazol-4-yl)quinazolin-4-yl]thiophene-2-sulfonic acid Traditional Name: 3-[6-(3-methyl-1-trityl-pyrazol-4-yl)quinazolin-4-yl]thiophene-2-sulfonic acid Formula: C35H26N4O3S2 MolecularWeight: 614.73594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=CC3=C(C=C2)N=CN=C3C4=C(SC=C4)S(=O)(=O)O)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CC1=NN(C=C1C2=CC3=C(C=C2)N=CN=C3C4=C(SC=C4)S(=O)(=O)O)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C35H26N4O3S2/c1-24-31(25-17-18-32-30(21-25)33(37-23-36-32)29-19-20-43-34(29)44(40,41)42)22-39(38-24)35(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-23H,1H3,(H,40,41,42)