N-(4-bromophenyl)-2-(6-methyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-(6-methyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide CAS Name: N-(4-bromophenyl)-2-[(6-methyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-(6-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-6-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-bromophenyl)acetamide Formula: C18H16BrN3O2S2 MolecularWeight: 450.37254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3O2S2/c1-3-8-22-17(24)14-9-11(2)26-16(14)21-18(22)25-10-15(23)20-13-6-4-12(19)5-7-13/h3-7,9H,1,8,10H2,2H3,(H,20,23)