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

Systemtic Name: 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]pyrazine Openeye Name: 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]pyrazine CAS Name: 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]pyrazine IUPAC Name: 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]pyrazine Traditional Name: 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]pyrazine Formula: C16H17N5 MolecularWeight: 279.33968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)C3=NC=CN=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)C3=NC=CN=C3

InChI

InChI=1S/C16H17N5/c1-16(2,3)12-6-4-11(5-7-12)14-19-15(21-20-14)13-10-17-8-9-18-13/h4-10H,1-3H3,(H,19,20,21)