1-[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-phenyl-methyl]-1,2,3,4-tetrazol-5-amine

Systemtic Name: 1-[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-phenyl-methyl]-1,2,3,4-tetrazol-5-amine Openeye Name: 1-[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-phenyl-methyl]tetrazol-5-amine CAS Name: 1-[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]-5-tetrazolamine IUPAC Name: 1-[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]tetrazol-5-amine Traditional Name: [1-[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-phenyl-methyl]tetrazol-5-yl]amine Formula: C13H15N7 MolecularWeight: 269.3051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C(C2=CC=CC=C2)N3C(=NN=N3)N

Isomeric SMILES

CC1=C(C(=NN1)C)[C@H](C2=CC=CC=C2)N3C(=NN=N3)N

InChI

InChI=1S/C13H15N7/c1-8-11(9(2)16-15-8)12(10-6-4-3-5-7-10)20-13(14)17-18-19-20/h3-7,12H,1-2H3,(H,15,16)(H2,14,17,19)/t12-/m0/s1