N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C22H23N5OS2 MolecularWeight: 437.58092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4)C

InChI

InChI=1S/C22H23N5OS2/c1-15-13-16(2)27(26-15)11-6-10-23-20(28)14-30-22-17-7-3-4-8-18(17)24-21(25-22)19-9-5-12-29-19/h3-5,7-9,12-13H,6,10-11,14H2,1-2H3,(H,23,28)