4-methoxy-3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-methoxy-3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-methoxy-3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]benzonitrile CAS Name: 4-methoxy-3-[[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]thio]methyl]benzonitrile IUPAC Name: 4-methoxy-3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]benzonitrile Traditional Name: 4-methoxy-3-[[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]thio]methyl]benzonitrile Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#N)CSC2=CC=CC=C2C3=NCCCN3

Isomeric SMILES

COC1=C(C=C(C=C1)C#N)CSC2=CC=CC=C2C3=NCCCN3

InChI

InChI=1S/C19H19N3OS/c1-23-17-8-7-14(12-20)11-15(17)13-24-18-6-3-2-5-16(18)19-21-9-4-10-22-19/h2-3,5-8,11H,4,9-10,13H2,1H3,(H,21,22)