2-[2-[(2-methylphenyl)methylsulfanylmethyl]-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(2-methylphenyl)methylsulfanylmethyl]-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[2-(o-tolylmethylsulfanylmethyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[2-[[(2-methylphenyl)methylthio]methyl]-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[2-[(2-methylphenyl)methylsulfanylmethyl]-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[(2-methylbenzyl)thio]methyl]-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C23H19N3OS2 MolecularWeight: 417.54646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

Isomeric SMILES

CC1=CC=CC=C1CSCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

InChI

InChI=1S/C23H19N3OS2/c1-16-7-5-6-10-18(16)13-28-15-20-25-22-21(23(27)26(20)12-11-24)19(14-29-22)17-8-3-2-4-9-17/h2-10,14H,12-13,15H2,1H3