(5E)-3-(3-chloranyl-4-methoxy-phenyl)-2-(pyridin-2-ylmethylsulfanyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one

Systemtic Name: (5E)-3-(3-chloranyl-4-methoxy-phenyl)-2-(pyridin-2-ylmethylsulfanyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one Openeye Name: (5E)-3-(3-chloro-4-methoxy-phenyl)-2-(2-pyridylmethylsulfanyl)-5-(2-thienylmethylene)imidazol-4-one CAS Name: (5E)-3-(3-chloro-4-methoxyphenyl)-2-(2-pyridinylmethylthio)-5-(thiophen-2-ylmethylidene)-4-imidazolone IUPAC Name: (5E)-3-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylsulfanyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one Traditional Name: (5E)-3-(3-chloro-4-methoxy-phenyl)-2-(2-pyridylmethylthio)-5-(2-thenylidene)-2-imidazolin-4-one Formula: C21H16ClN3O2S2 MolecularWeight: 441.95364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=CS3)N=C2SCC4=CC=CC=N4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC=CS3)/N=C2SCC4=CC=CC=N4)Cl

InChI

InChI=1S/C21H16ClN3O2S2/c1-27-19-8-7-15(11-17(19)22)25-20(26)18(12-16-6-4-10-28-16)24-21(25)29-13-14-5-2-3-9-23-14/h2-12H,13H2,1H3/b18-12+