(1S)-1-(4-ethylphenyl)-2-(1,2,4-triazol-1-yl)ethanamine

Systemtic Name: (1S)-1-(4-ethylphenyl)-2-(1,2,4-triazol-1-yl)ethanamine Openeye Name: (1S)-1-(4-ethylphenyl)-2-(1,2,4-triazol-1-yl)ethanamine CAS Name: (1S)-1-(4-ethylphenyl)-2-(1,2,4-triazol-1-yl)ethanamine IUPAC Name: (1S)-1-(4-ethylphenyl)-2-(1,2,4-triazol-1-yl)ethanamine Traditional Name: [(1S)-1-(4-ethylphenyl)-2-(1,2,4-triazol-1-yl)ethyl]amine Formula: C12H16N4 MolecularWeight: 216.28224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CN2C=NC=N2)N

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](CN2C=NC=N2)N

InChI

InChI=1S/C12H16N4/c1-2-10-3-5-11(6-4-10)12(13)7-16-9-14-8-15-16/h3-6,8-9,12H,2,7,13H2,1H3/t12-/m1/s1