3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(2-thienyl)-1H-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-thiophen-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(2-thienyl)-1H-1,2,4-triazole Formula: C19H23N3S2 MolecularWeight: 357.53602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NNC(=N2)C3=CC=CS3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NNC(=N2)C3=CC=CS3)C)C(C)(C)C

InChI

InChI=1S/C19H23N3S2/c1-12-9-14(19(3,4)5)10-13(2)15(12)11-24-18-20-17(21-22-18)16-7-6-8-23-16/h6-10H,11H2,1-5H3,(H,20,21,22)