1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]butan-1-amine

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-[(4-tert-butylphenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[5-[(4-tert-butylbenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]butylamine Formula: C19H30N4S MolecularWeight: 346.5333

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC)SCC2=CC=C(C=C2)C(C)(C)C)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC)SCC2=CC=C(C=C2)C(C)(C)C)N

InChI

InChI=1S/C19H30N4S/c1-6-8-16(20)17-21-22-18(23(17)7-2)24-13-14-9-11-15(12-10-14)19(3,4)5/h9-12,16H,6-8,13,20H2,1-5H3