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

Systemtic Name: 2-(5-methyl-4-oxidanylidene-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanenitrile Openeye Name: 2-(5-methyl-4-oxo-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[(5-methyl-4-oxo-3,6-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(5-methyl-4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(4-keto-5-methyl-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetonitrile Formula: C21H15N3OS2 MolecularWeight: 389.4933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H15N3OS2/c1-14-17-19(27-18(14)15-8-4-2-5-9-15)23-21(26-13-12-22)24(20(17)25)16-10-6-3-7-11-16/h2-11H,13H2,1H3