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

Systemtic Name: 3-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-butyl-5-[(4-tert-butylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-butyl-5-[(4-tert-butylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C17H26N4S MolecularWeight: 318.48014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C17H26N4S/c1-5-6-7-15-19-20-16(21(15)18)22-12-13-8-10-14(11-9-13)17(2,3)4/h8-11H,5-7,12,18H2,1-4H3