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

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(3-nitro-4-oxidanyl-phenyl)ethanamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-hydroxy-3-nitro-phenyl)acetamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-2-(4-hydroxy-3-nitrophenyl)acetamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-hydroxy-3-nitrophenyl)acetamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-2-(4-hydroxy-3-nitro-phenyl)acetamide Formula: C22H16N6O4S2 MolecularWeight: 492.53024

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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)O)[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)O)[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O4S2/c29-19-8-5-13(9-18(19)28(31)32)10-21(30)23-14-6-7-16-20(11-14)34-22(24-16)33-12-27-17-4-2-1-3-15(17)25-26-27/h1-9,11,29H,10,12H2,(H,23,30)