4-[[6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[6-ethyl-5-methyl-4-oxo-3-(p-tolylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[6-ethyl-4-keto-5-methyl-3-(4-methylbenzyl)thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C25H23N3OS2 MolecularWeight: 445.59962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C)SCC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C)SCC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C25H23N3OS2/c1-4-21-17(3)22-23(31-21)27-25(30-15-20-11-9-18(13-26)10-12-20)28(24(22)29)14-19-7-5-16(2)6-8-19/h5-12H,4,14-15H2,1-3H3