4-[2-(5-methylsulfonylthiophen-2-yl)piperidin-1-yl]-6-[1-(triphenylmethyl)pyrazol-4-yl]quinazoline

Systemtic Name: 4-[2-(5-methylsulfonylthiophen-2-yl)piperidin-1-yl]-6-[1-(triphenylmethyl)pyrazol-4-yl]quinazoline Openeye Name: 4-[2-(5-methylsulfonyl-2-thienyl)-1-piperidyl]-6-(1-tritylpyrazol-4-yl)quinazoline CAS Name: 4-[2-(5-methylsulfonyl-2-thiophenyl)-1-piperidinyl]-6-[1-(triphenylmethyl)-4-pyrazolyl]quinazoline IUPAC Name: 4-[2-(5-methylsulfonylthiophen-2-yl)piperidin-1-yl]-6-(1-tritylpyrazol-4-yl)quinazoline Traditional Name: 4-[2-(5-mesyl-2-thienyl)piperidino]-6-(1-tritylpyrazol-4-yl)quinazoline Formula: C40H35N5O2S2 MolecularWeight: 681.8682

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(S1)C2CCCCN2C3=NC=NC4=C3C=C(C=C4)C5=CN(N=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CS(=O)(=O)C1=CC=C(S1)C2CCCCN2C3=NC=NC4=C3C=C(C=C4)C5=CN(N=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C40H35N5O2S2/c1-49(46,47)38-23-22-37(48-38)36-19-11-12-24-44(36)39-34-25-29(20-21-35(34)41-28-42-39)30-26-43-45(27-30)40(31-13-5-2-6-14-31,32-15-7-3-8-16-32)33-17-9-4-10-18-33/h2-10,13-18,20-23,25-28,36H,11-12,19,24H2,1H3