2-(3-azanyl-2-oxidanyl-propoxy)-4-[3-(4-hydroxyphenyl)sulfanylpropyl]benzenecarbonitrile

Systemtic Name: 2-(3-azanyl-2-oxidanyl-propoxy)-4-[3-(4-hydroxyphenyl)sulfanylpropyl]benzenecarbonitrile Openeye Name: 2-(3-amino-2-hydroxy-propoxy)-4-[3-(4-hydroxyphenyl)sulfanylpropyl]benzonitrile CAS Name: 2-(3-amino-2-hydroxypropoxy)-4-[3-[(4-hydroxyphenyl)thio]propyl]benzonitrile IUPAC Name: 2-(3-amino-2-hydroxypropoxy)-4-[3-(4-hydroxyphenyl)sulfanylpropyl]benzonitrile Traditional Name: 2-(3-amino-2-hydroxy-propoxy)-4-[3-[(4-hydroxyphenyl)thio]propyl]benzonitrile Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)SCCCC2=CC(=C(C=C2)C#N)OCC(CN)O

Isomeric SMILES

C1=CC(=CC=C1O)SCCCC2=CC(=C(C=C2)C#N)OCC(CN)O

InChI

InChI=1S/C19H22N2O3S/c20-11-15-4-3-14(10-19(15)24-13-17(23)12-21)2-1-9-25-18-7-5-16(22)6-8-18/h3-8,10,17,22-23H,1-2,9,12-13,21H2