2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(phenylmethyl)benzimidazole

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole CAS Name: 2-[[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole Traditional Name: 1-benzyl-2-[[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzimidazole Formula: C28H29N5S MolecularWeight: 467.62836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5S/c1-28(2,3)22-16-14-21(15-17-22)26-30-31-27(32(26)4)34-19-25-29-23-12-8-9-13-24(23)33(25)18-20-10-6-5-7-11-20/h5-17H,18-19H2,1-4H3