2-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[3-(2-benzotriazolyl)-4-ethoxyphenyl]methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxyphenyl]methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxy-benzyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CSC2=C(C(=CC(=N2)C)C)C#N)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CCOC1=C(C=C(C=C1)CSC2=C(C(=CC(=N2)C)C)C#N)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C23H21N5OS/c1-4-29-22-10-9-17(14-30-23-18(13-24)15(2)11-16(3)25-23)12-21(22)28-26-19-7-5-6-8-20(19)27-28/h5-12H,4,14H2,1-3H3