2-[1,3-benzothiazol-2-yl-(phenylmethyl)amino]ethanol; 2-chloranyl-1,3-benzothiazole

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(phenylmethyl)amino]ethanol; 2-chloranyl-1,3-benzothiazole Openeye Name: 2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol; 2-chloro-1,3-benzothiazole CAS Name: 2-[1,3-benzothiazol-2-yl-(phenylmethyl)amino]ethanol; 2-chloro-1,3-benzothiazole IUPAC Name: 2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol; 2-chloro-1,3-benzothiazole Traditional Name: 2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol; 2-chloro-1,3-benzothiazole Formula: C23H20ClN3OS2 MolecularWeight: 454.0074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCO)C2=NC3=CC=CC=C3S2.C1=CC=C2C(=C1)N=C(S2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCO)C2=NC3=CC=CC=C3S2.C1=CC=C2C(=C1)N=C(S2)Cl

InChI

InChI=1S/C16H16N2OS.C7H4ClNS/c19-11-10-18(12-13-6-2-1-3-7-13)16-17-14-8-4-5-9-15(14)20-16;8-7-9-5-3-1-2-4-6(5)10-7/h1-9,19H,10-12H2;1-4H