N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)acetamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)acetamide Formula: C22H16N6O3S2 MolecularWeight: 476.53084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CSC3=NC4=C(S3)C=C(C=C4)NC(=O)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CSC3=NC4=C(S3)C=C(C=C4)NC(=O)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O3S2/c29-21(11-14-5-8-16(9-6-14)28(30)31)23-15-7-10-18-20(12-15)33-22(24-18)32-13-27-19-4-2-1-3-17(19)25-26-27/h1-10,12H,11,13H2,(H,23,29)