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

Systemtic Name: 4-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C26H26N4S MolecularWeight: 426.57644

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4C5=CC=CC=C5)SCC6=CC=C(C=C6)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4C5=CC=CC=C5)SCC6=CC=C(C=C6)C#N

InChI

InChI=1S/C26H26N4S/c27-16-18-6-8-19(9-7-18)17-31-25-29-28-24(30(25)23-4-2-1-3-5-23)26-13-20-10-21(14-26)12-22(11-20)15-26/h1-9,20-22H,10-15,17H2