N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(benzotriazol-1-ylmethyl)-N-methyl-benzamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(benzotriazol-1-ylmethyl)-N-methyl-benzamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(benzotriazol-1-ylmethyl)-N-methyl-benzamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(1-benzotriazolylmethyl)-N-methylbenzamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(benzotriazol-1-ylmethyl)-N-methylbenzamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(benzotriazol-1-ylmethyl)-N-methyl-benzamide Formula: C24H21N5OS MolecularWeight: 427.52144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H21N5OS/c1-16(23-25-20-8-4-6-10-22(20)31-23)28(2)24(30)18-13-11-17(12-14-18)15-29-21-9-5-3-7-19(21)26-27-29/h3-14,16H,15H2,1-2H3