2-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[3-(2-benzotriazolyl)-4-ethoxyphenyl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxyphenyl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxy-benzyl]thio]-1,3-benzothiazole Formula: C22H18N4OS2 MolecularWeight: 418.53452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3S2)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CCOC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3S2)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C22H18N4OS2/c1-2-27-20-12-11-15(14-28-22-23-18-9-5-6-10-21(18)29-22)13-19(20)26-24-16-7-3-4-8-17(16)25-26/h3-13H,2,14H2,1H3