1-[4-(5-chloranyl-3-methoxy-2-prop-2-enoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(5-chloranyl-3-methoxy-2-prop-2-enoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(2-allyloxy-5-chloro-3-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(2-allyloxy-5-chloro-3-methoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=S)NC1C2=CC(=CC(=C2OCC=C)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(NC(=S)NC1C2=CC(=CC(=C2OCC=C)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2O3S/c1-4-10-28-21-16(11-15(23)12-17(21)27-3)20-18(13(2)26)19(24-22(29)25-20)14-8-6-5-7-9-14/h4-9,11-12,20H,1,10H2,2-3H3,(H2,24,25,29)