2-[(2-chloranyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile

Systemtic Name: 2-[(2-chloranyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[[2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[2-chloro-6-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[2-chloro-6-ethoxy-4-(morpholine-4-carbothioyl)phenoxy]methyl]benzonitrile Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Cl)OCC3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Cl)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H21ClN2O3S/c1-2-26-19-12-17(21(28)24-7-9-25-10-8-24)11-18(22)20(19)27-14-16-6-4-3-5-15(16)13-23/h3-6,11-12H,2,7-10,14H2,1H3