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

Systemtic Name: 4-(5-methyl-4-oxidanylidene-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile Openeye Name: 4-(5-methyl-4-oxo-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile CAS Name: 4-[(5-methyl-4-oxo-3,6-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]butanenitrile IUPAC Name: 4-(5-methyl-4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile Traditional Name: 4-[(4-keto-5-methyl-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]butyronitrile Formula: C23H19N3OS2 MolecularWeight: 417.54646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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