1-(2,5-dimethoxyphenyl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethoxyphenyl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-1-(2,5-dimethoxyphenyl)ethanone CAS Name: 1-(2,5-dimethoxyphenyl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-1-(2,5-dimethoxyphenyl)ethanone Traditional Name: 2-[(2-benzylquinazolin-4-yl)thio]-1-(2,5-dimethoxyphenyl)ethanone Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c1-29-18-12-13-23(30-2)20(15-18)22(28)16-31-25-19-10-6-7-11-21(19)26-24(27-25)14-17-8-4-3-5-9-17/h3-13,15H,14,16H2,1-2H3