3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(1,3-diphenyl-4-pyrazolyl)methylthio]-4-methyl-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-benzyl-5-[(1,3-diphenylpyrazol-4-yl)methylthio]-4-methyl-1,2,4-triazole Formula: C26H23N5S MolecularWeight: 437.55932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H23N5S/c1-30-24(17-20-11-5-2-6-12-20)27-28-26(30)32-19-22-18-31(23-15-9-4-10-16-23)29-25(22)21-13-7-3-8-14-21/h2-16,18H,17,19H2,1H3