3-methylsulfanyl-5-[4-(4-phenoxybutoxy)phenyl]-1,2-oxazole-4-carbonitrile

Systemtic Name: 3-methylsulfanyl-5-[4-(4-phenoxybutoxy)phenyl]-1,2-oxazole-4-carbonitrile Openeye Name: 3-methylsulfanyl-5-[4-(4-phenoxybutoxy)phenyl]isoxazole-4-carbonitrile CAS Name: 3-(methylthio)-5-[4-(4-phenoxybutoxy)phenyl]-4-isoxazolecarbonitrile IUPAC Name: 3-methylsulfanyl-5-[4-(4-phenoxybutoxy)phenyl]-1,2-oxazole-4-carbonitrile Traditional Name: 3-(methylthio)-5-[4-(4-phenoxybutoxy)phenyl]isoxazole-4-carbonitrile Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NOC(=C1C#N)C2=CC=C(C=C2)OCCCCOC3=CC=CC=C3

Isomeric SMILES

CSC1=NOC(=C1C#N)C2=CC=C(C=C2)OCCCCOC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-27-21-19(15-22)20(26-23-21)16-9-11-18(12-10-16)25-14-6-5-13-24-17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-14H2,1H3