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

Systemtic Name: 2-[(2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[[2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[2-methoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CCCC2)OCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CCCC2)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H20N2O2S/c1-23-19-12-15(20(25)22-10-4-5-11-22)8-9-18(19)24-14-17-7-3-2-6-16(17)13-21/h2-3,6-9,12H,4-5,10-11,14H2,1H3