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

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-2-(2-pyridylthio)acetamide Formula: C21H16N6OS3 MolecularWeight: 464.58634

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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)CSC5=CC=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CSC3=NC4=C(S3)C=C(C=C4)NC(=O)CSC5=CC=CC=N5

InChI

InChI=1S/C21H16N6OS3/c28-19(12-29-20-7-3-4-10-22-20)23-14-8-9-16-18(11-14)31-21(24-16)30-13-27-17-6-2-1-5-15(17)25-26-27/h1-11H,12-13H2,(H,23,28)