1-(4-butylphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-butylphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(4-butylphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(4-butylphenyl)-2-[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(4-butylphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(4-butylphenyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]ethanone Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=C2C(=C(S3)C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=C2C(=C(S3)C)C)C

InChI

InChI=1S/C21H24N2OS2/c1-5-6-7-16-8-10-17(11-9-16)18(24)12-25-20-19-13(2)14(3)26-21(19)23-15(4)22-20/h8-11H,5-7,12H2,1-4H3