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

Systemtic Name: 4-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H18N4OS MolecularWeight: 398.48022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)COC4=CC=CC=C4

InChI

InChI=1S/C23H18N4OS/c24-15-18-11-13-19(14-12-18)17-29-23-26-25-22(16-28-21-9-5-2-6-10-21)27(23)20-7-3-1-4-8-20/h1-14H,16-17H2