5-tert-butyl-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-tert-butyl-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-tert-butyl-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-tert-butyl-3-[(1,3-diphenyl-4-pyrazolyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-tert-butyl-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-tert-butyl-3-[(1,3-diphenylpyrazol-4-yl)methylthio]-1H-1,2,4-triazole Formula: C22H23N5S MolecularWeight: 389.51652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5S/c1-22(2,3)20-23-21(25-24-20)28-15-17-14-27(18-12-8-5-9-13-18)26-19(17)16-10-6-4-7-11-16/h4-14H,15H2,1-3H3,(H,23,24,25)