3-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methylsulfanyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methylsulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methylsulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]-5-(methylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methylsulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[5-tert-butyl-2-(2,4-dichlorobenzyl)pyrazol-3-yl]-5-(methylthio)-4-phenyl-1,2,4-triazole Formula: C23H23Cl2N5S MolecularWeight: 472.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C2=NN=C(N2C3=CC=CC=C3)SC)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C2=NN=C(N2C3=CC=CC=C3)SC)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H23Cl2N5S/c1-23(2,3)20-13-19(29(28-20)14-15-10-11-16(24)12-18(15)25)21-26-27-22(31-4)30(21)17-8-6-5-7-9-17/h5-13H,14H2,1-4H3