5-(5-tert-butyl-1H-pyrazol-3-yl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(5-tert-butyl-1H-pyrazol-3-yl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(5-tert-butyl-1H-pyrazol-3-yl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-(5-tert-butyl-1H-pyrazol-3-yl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(5-tert-butyl-1H-pyrazol-3-yl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-(5-tert-butyl-1H-pyrazol-3-yl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate Formula: C17H20N5S- MolecularWeight: 326.4392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=NN=C2[S-])C3=NNC(=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C(=NN=C2[S-])C3=NNC(=C3)C(C)(C)C

InChI

InChI=1S/C17H21N5S/c1-11(12-8-6-5-7-9-12)22-15(20-21-16(22)23)13-10-14(19-18-13)17(2,3)4/h5-11H,1-4H3,(H,18,19)(H,21,23)/p-1/t11-/m1/s1