3-methylsulfanyl-5-[4-[3-(4-nitrophenoxy)propoxy]phenyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-methylsulfanyl-5-[4-[3-(4-nitrophenoxy)propoxy]phenyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3-methylsulfanyl-5-[4-[3-(4-nitrophenoxy)propoxy]phenyl]isothiazole-4-carbonitrile CAS Name: 3-(methylthio)-5-[4-[3-(4-nitrophenoxy)propoxy]phenyl]-4-isothiazolecarbonitrile IUPAC Name: 3-methylsulfanyl-5-[4-[3-(4-nitrophenoxy)propoxy]phenyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3-(methylthio)-5-[4-[3-(4-nitrophenoxy)propoxy]phenyl]isothiazole-4-carbonitrile Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NSC(=C1C#N)C2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NSC(=C1C#N)C2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S2/c1-28-20-18(13-21)19(29-22-20)14-3-7-16(8-4-14)26-11-2-12-27-17-9-5-15(6-10-17)23(24)25/h3-10H,2,11-12H2,1H3