5-methyl-4-[(2S)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-phenyl-pyrazol-3-olate

Systemtic Name: 5-methyl-4-[(2S)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-phenyl-pyrazol-3-olate Openeye Name: 5-methyl-2-phenyl-4-[(2S)-5-(p-tolyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pyrazol-3-olate CAS Name: 5-methyl-4-[(2S)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-phenyl-3-pyrazololate IUPAC Name: 5-methyl-4-[(2S)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-2-phenylpyrazol-3-olate Traditional Name: 5-methyl-2-phenyl-4-[(2S)-5-(p-tolyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pyrazol-3-olate Formula: C19H17N4OS- MolecularWeight: 349.42948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(S2)C3=C(N(N=C3C)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN[C@@H](S2)C3=C(N(N=C3C)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C19H18N4OS/c1-12-8-10-14(11-9-12)17-20-21-18(25-17)16-13(2)22-23(19(16)24)15-6-4-3-5-7-15/h3-11,18,21,24H,1-2H3/p-1/t18-/m0/s1