6-[3-(4-methoxyphenyl)-1-(triphenylmethyl)pyrazol-4-yl]-4-(5-methylsulfanylthiophen-2-yl)quinazoline

Systemtic Name: 6-[3-(4-methoxyphenyl)-1-(triphenylmethyl)pyrazol-4-yl]-4-(5-methylsulfanylthiophen-2-yl)quinazoline Openeye Name: 6-[3-(4-methoxyphenyl)-1-trityl-pyrazol-4-yl]-4-(5-methylsulfanyl-2-thienyl)quinazoline CAS Name: 6-[3-(4-methoxyphenyl)-1-(triphenylmethyl)-4-pyrazolyl]-4-[5-(methylthio)-2-thiophenyl]quinazoline IUPAC Name: 6-[3-(4-methoxyphenyl)-1-tritylpyrazol-4-yl]-4-(5-methylsulfanylthiophen-2-yl)quinazoline Traditional Name: 6-[3-(4-methoxyphenyl)-1-trityl-pyrazol-4-yl]-4-[5-(methylthio)-2-thienyl]quinazoline Formula: C42H32N4OS2 MolecularWeight: 672.85968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C3=CC4=C(C=C3)N=CN=C4C5=CC=C(S5)SC)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C3=CC4=C(C=C3)N=CN=C4C5=CC=C(S5)SC)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C42H32N4OS2/c1-47-34-21-18-29(19-22-34)40-36(30-20-23-37-35(26-30)41(44-28-43-37)38-24-25-39(48-2)49-38)27-46(45-40)42(31-12-6-3-7-13-31,32-14-8-4-9-15-32)33-16-10-5-11-17-33/h3-28H,1-2H3