3-[2-(benzotriazol-1-yl)-4,5-dicyano-phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(benzotriazol-1-yl)-4,5-dicyano-phenyl]sulfanylpropanoic acid Openeye Name: 3-[2-(benzotriazol-1-yl)-4,5-dicyano-phenyl]sulfanylpropanoic acid CAS Name: 3-[[2-(1-benzotriazolyl)-4,5-dicyanophenyl]thio]propanoic acid IUPAC Name: 3-[2-(benzotriazol-1-yl)-4,5-dicyanophenyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(benzotriazol-1-yl)-4,5-dicyano-phenyl]thio]propionic acid Formula: C17H11N5O2S MolecularWeight: 349.36654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C(=C3)C#N)C#N)SCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C(=C3)C#N)C#N)SCCC(=O)O

InChI

InChI=1S/C17H11N5O2S/c18-9-11-7-15(22-14-4-2-1-3-13(14)20-21-22)16(8-12(11)10-19)25-6-5-17(23)24/h1-4,7-8H,5-6H2,(H,23,24)