2-[2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenoxy]-5-chloranyl-1,3-benzothiazole

Systemtic Name: 2-[2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenoxy]-5-chloranyl-1,3-benzothiazole Openeye Name: 2-[2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenoxy]-5-chloro-1,3-benzothiazole CAS Name: 2-[2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenoxy]-5-chloro-1,3-benzothiazole IUPAC Name: 2-[2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenoxy]-5-chloro-1,3-benzothiazole Traditional Name: 2-[2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenoxy]-5-chloro-1,3-benzothiazole Formula: C17H13BrClNO2S3 MolecularWeight: 474.84262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2SCCS2)Br)OC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C2SCCS2)Br)OC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C17H13BrClNO2S3/c1-21-13-7-9(16-23-4-5-24-16)6-11(18)15(13)22-17-20-12-8-10(19)2-3-14(12)25-17/h2-3,6-8,16H,4-5H2,1H3