2-[(4-pyrrolidin-1-ylcarbothioylphenoxy)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-pyrrolidin-1-ylcarbothioylphenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[[4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[1-pyrrolidinyl(sulfanylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C19H18N2OS MolecularWeight: 322.42402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)C2=CC=C(C=C2)OCC3=CC=CC=C3C#N

Isomeric SMILES

C1CCN(C1)C(=S)C2=CC=C(C=C2)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H18N2OS/c20-13-16-5-1-2-6-17(16)14-22-18-9-7-15(8-10-18)19(23)21-11-3-4-12-21/h1-2,5-10H,3-4,11-12,14H2