5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(1S)-1-(4-isobutylphenyl)ethyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(1S)-1-(4-isobutylphenyl)ethyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C20H22N3S- MolecularWeight: 336.47378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C2=NN=C(N2C3=CC=CC=C3)[S-]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)CC(C)C)C2=NN=C(N2C3=CC=CC=C3)[S-]

InChI

InChI=1S/C20H23N3S/c1-14(2)13-16-9-11-17(12-10-16)15(3)19-21-22-20(24)23(19)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,22,24)/p-1/t15-/m0/s1