1-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline

Systemtic Name: 1-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline Openeye Name: 1-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-5-methylsulfonyl-4-(2-thienyl)-4H-quinazoline CAS Name: 1-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline IUPAC Name: 1-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline Traditional Name: 1-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-5-mesyl-4-(2-thienyl)-4H-quinazoline Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=NN2)N3C=NC(C4=C3C=CC=C4S(=O)(=O)C)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=NN2)N3C=NC(C4=C3C=CC=C4S(=O)(=O)C)C5=CC=CS5)OC

InChI

InChI=1S/C24H22N4O4S2/c1-31-18-10-9-15(12-19(18)32-2)23-17(13-26-27-23)28-14-25-24(20-7-5-11-33-20)22-16(28)6-4-8-21(22)34(3,29)30/h4-14,24H,1-3H3,(H,26,27)