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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-methyl-1H-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-methyl-1H-1,2,4-triazole Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C14H19N3S/c1-10-15-13(17-16-10)18-9-11-5-7-12(8-6-11)14(2,3)4/h5-8H,9H2,1-4H3,(H,15,16,17)