3-[(4-tert-butylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(2-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(2-furyl)-4-phenyl-1,2,4-triazole Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C23H23N3OS/c1-23(2,3)18-13-11-17(12-14-18)16-28-22-25-24-21(20-10-7-15-27-20)26(22)19-8-5-4-6-9-19/h4-15H,16H2,1-3H3