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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-furyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(2-furanyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(2-furyl)-4-methyl-1,2,4-triazole Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=CO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=CO3

InChI

InChI=1S/C18H21N3OS/c1-18(2,3)14-9-7-13(8-10-14)12-23-17-20-19-16(21(17)4)15-6-5-11-22-15/h5-11H,12H2,1-4H3