5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C20H17N4S- MolecularWeight: 345.44078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)[S-])C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)[S-])C

InChI

InChI=1S/C20H18N4S/c1-14-8-9-15(2)23(14)18-12-10-16(11-13-18)19-21-22-20(25)24(19)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,22,25)/p-1