4-(4-tert-butylphenyl)-3-(furan-2-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(4-tert-butylphenyl)-3-(furan-2-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-(4-tert-butylphenyl)-5-(2-furyl)-1,2,4-triazole CAS Name: 4-(4-tert-butylphenyl)-3-(2-furanyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(4-tert-butylphenyl)-5-(furan-2-yl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-(4-tert-butylphenyl)-5-(2-furyl)-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)N2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CO4

InChI

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