2-[(2-ethoxy-4-pyrrolidin-1-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile

Systemtic Name: 2-[(2-ethoxy-4-pyrrolidin-1-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[[2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[2-ethoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCCC2)OCC3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCCC2)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H22N2O2S/c1-2-24-20-13-16(21(26)23-11-5-6-12-23)9-10-19(20)25-15-18-8-4-3-7-17(18)14-22/h3-4,7-10,13H,2,5-6,11-12,15H2,1H3