5-[4-[4-(5-methylsulfonylthiophen-2-yl)quinazolin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carbonitrile dihydrochloride

Systemtic Name: 5-[4-[4-(5-methylsulfonylthiophen-2-yl)quinazolin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carbonitrile dihydrochloride Openeye Name: 5-[4-[4-(5-methylsulfonyl-2-thienyl)quinazolin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carbonitrile dihydrochloride CAS Name: 5-[4-[4-(5-methylsulfonyl-2-thiophenyl)-6-quinazolinyl]-1H-pyrazol-5-yl]-2-thiophenecarbonitrile dihydrochloride IUPAC Name: 5-[4-[4-(5-methylsulfonylthiophen-2-yl)quinazolin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carbonitrile dihydrochloride Traditional Name: 5-[4-[4-(5-mesyl-2-thienyl)quinazolin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carbonitrile dihydrochloride Formula: C21H15Cl2N5O2S3 MolecularWeight: 536.4771

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(S1)C2=NC=NC3=C2C=C(C=C3)C4=C(NN=C4)C5=CC=C(S5)C#N.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(S1)C2=NC=NC3=C2C=C(C=C3)C4=C(NN=C4)C5=CC=C(S5)C#N.Cl.Cl

InChI

InChI=1S/C21H13N5O2S3.2ClH/c1-31(27,28)19-7-6-17(30-19)20-14-8-12(2-4-16(14)23-11-24-20)15-10-25-26-21(15)18-5-3-13(9-22)29-18;;/h2-8,10-11H,1H3,(H,25,26);2*1H