4-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]thio]methyl]benzonitrile Formula: C18H17N3S MolecularWeight: 307.41268

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CNC(=NC1)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H17N3S/c19-12-14-6-8-15(9-7-14)13-22-17-5-2-1-4-16(17)18-20-10-3-11-21-18/h1-2,4-9H,3,10-11,13H2,(H,20,21)