2,2-diphenyl-4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanyl-butanenitrile

Systemtic Name: 2,2-diphenyl-4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanyl-butanenitrile Openeye Name: 2,2-diphenyl-4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanyl-butanenitrile CAS Name: 2,2-diphenyl-4-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]thio]butanenitrile IUPAC Name: 2,2-diphenyl-4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylbutanenitrile Traditional Name: 2,2-diphenyl-4-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]thio]butyronitrile Formula: C26H25N3S MolecularWeight: 411.5618

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=CC=CC=C2SCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CNC(=NC1)C2=CC=CC=C2SCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3S/c27-20-26(21-10-3-1-4-11-21,22-12-5-2-6-13-22)16-19-30-24-15-8-7-14-23(24)25-28-17-9-18-29-25/h1-8,10-15H,9,16-19H2,(H,28,29)