3-[[5-[(2-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-[(2-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H17ClN4OS MolecularWeight: 432.92528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)COC4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)COC4=CC=CC=C4Cl

InChI

InChI=1S/C23H17ClN4OS/c24-20-11-4-5-12-21(20)29-15-22-26-27-23(28(22)19-9-2-1-3-10-19)30-16-18-8-6-7-17(13-18)14-25/h1-13H,15-16H2