N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[(E)-1-(1-benzotriazolyl)propan-2-ylideneamino]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-(2-pyridylthio)acetamide Formula: C16H16N6OS MolecularWeight: 340.40284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CSC1=CC=CC=N1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C/C(=N\NC(=O)CSC1=CC=CC=N1)/CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H16N6OS/c1-12(10-22-14-7-3-2-6-13(14)19-21-22)18-20-15(23)11-24-16-8-4-5-9-17-16/h2-9H,10-11H2,1H3,(H,20,23)/b18-12+