3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-cyclopropyl-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-cyclopropyl-4-methyl-1,2,4-triazole Formula: C19H27N3S MolecularWeight: 329.50278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C)C3CC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C)C3CC3)C)C(C)(C)C

InChI

InChI=1S/C19H27N3S/c1-12-9-15(19(3,4)5)10-13(2)16(12)11-23-18-21-20-17(22(18)6)14-7-8-14/h9-10,14H,7-8,11H2,1-6H3