5-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]benzene-1,3-diamine

Systemtic Name: 5-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]benzene-1,3-diamine Openeye Name: 5-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]benzene-1,3-diamine CAS Name: 5-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]benzene-1,3-diamine IUPAC Name: 5-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]benzene-1,3-diamine Traditional Name: [3-amino-5-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]amine Formula: C18H21N5 MolecularWeight: 307.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC(=C3)N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC(=C3)N)N

InChI

InChI=1S/C18H21N5/c1-18(2,3)13-6-4-11(5-7-13)16-21-17(23-22-16)12-8-14(19)10-15(20)9-12/h4-10H,19-20H2,1-3H3,(H,21,22,23)