3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(3-morpholinosulfonylphenyl)methylsulfanylmethyl]benzonitrile CAS Name: 3-[[[3-(4-morpholinylsulfonyl)phenyl]methylthio]methyl]benzonitrile IUPAC Name: 3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanylmethyl]benzonitrile Traditional Name: 3-[[(3-morpholinosulfonylbenzyl)thio]methyl]benzonitrile Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H20N2O3S2/c20-13-16-3-1-4-17(11-16)14-25-15-18-5-2-6-19(12-18)26(22,23)21-7-9-24-10-8-21/h1-6,11-12H,7-10,14-15H2