2-[3-(4-methoxyphenyl)-5-methyl-4-oxidanylidene-6-tetradecyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-methyl-4-oxidanylidene-6-tetradecyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(4-methoxyphenyl)-5-methyl-4-oxo-6-tetradecyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(4-methoxyphenyl)-5-methyl-4-oxo-6-tetradecyl-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[3-(4-methoxyphenyl)-5-methyl-4-oxo-6-tetradecylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-(4-methoxyphenyl)-5-methyl-6-myristyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C30H41N3O2S2 MolecularWeight: 539.79544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=C(C=C3)OC)SCC#N)C

Isomeric SMILES

CCCCCCCCCCCCCCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=C(C=C3)OC)SCC#N)C

InChI

InChI=1S/C30H41N3O2S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-26-23(2)27-28(37-26)32-30(36-22-21-31)33(29(27)34)24-17-19-25(35-3)20-18-24/h17-20H,4-16,22H2,1-3H3