2-(3-iodanyl-5-methoxy-4-propoxy-phenyl)-1,3-benzothiazole

Systemtic Name: 2-(3-iodanyl-5-methoxy-4-propoxy-phenyl)-1,3-benzothiazole Openeye Name: 2-(3-iodo-5-methoxy-4-propoxy-phenyl)-1,3-benzothiazole CAS Name: 2-(3-iodo-5-methoxy-4-propoxyphenyl)-1,3-benzothiazole IUPAC Name: 2-(3-iodo-5-methoxy-4-propoxyphenyl)-1,3-benzothiazole Traditional Name: 2-(3-iodo-5-methoxy-4-propoxy-phenyl)-1,3-benzothiazole Formula: C17H16INO2S MolecularWeight: 425.28391

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C17H16INO2S/c1-3-8-21-16-12(18)9-11(10-14(16)20-2)17-19-13-6-4-5-7-15(13)22-17/h4-7,9-10H,3,8H2,1-2H3