(1S)-1-(3,4-dimethylphenyl)-2-(1,2,4-triazol-1-yl)ethanamine

Systemtic Name: (1S)-1-(3,4-dimethylphenyl)-2-(1,2,4-triazol-1-yl)ethanamine Openeye Name: (1S)-1-(3,4-dimethylphenyl)-2-(1,2,4-triazol-1-yl)ethanamine CAS Name: (1S)-1-(3,4-dimethylphenyl)-2-(1,2,4-triazol-1-yl)ethanamine IUPAC Name: (1S)-1-(3,4-dimethylphenyl)-2-(1,2,4-triazol-1-yl)ethanamine Traditional Name: [(1S)-1-(3,4-dimethylphenyl)-2-(1,2,4-triazol-1-yl)ethyl]amine Formula: C12H16N4 MolecularWeight: 216.28224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CN2C=NC=N2)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](CN2C=NC=N2)N)C

InChI

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