N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]acetamide CAS Name: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]acetamide Formula: C25H27N5O2S3 MolecularWeight: 525.70918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=NSC(=N3)C4=CC=C(C=C4)C(C)(C)C)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=NSC(=N3)C4=CC=C(C=C4)C(C)(C)C)CC=C)C

InChI

InChI=1S/C25H27N5O2S3/c1-7-12-30-22(32)19-14(2)15(3)34-21(19)28-24(30)33-13-18(31)26-23-27-20(35-29-23)16-8-10-17(11-9-16)25(4,5)6/h7-11H,1,12-13H2,2-6H3,(H,26,29,31)