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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-ethyl-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C19H28N4S MolecularWeight: 344.51742

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C3CCCN3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C3CCCN3

InChI

InChI=1S/C19H28N4S/c1-5-23-17(16-7-6-12-20-16)21-22-18(23)24-13-14-8-10-15(11-9-14)19(2,3)4/h8-11,16,20H,5-7,12-13H2,1-4H3