1,4,5-triphenyl-1,2,4-triazol-4-ium-3-thiolate

Systemtic Name: 1,4,5-triphenyl-1,2,4-triazol-4-ium-3-thiolate Openeye Name: 1,4,5-triphenyl-1,2,4-triazol-4-ium-3-thiolate CAS Name: 1,4,5-triphenyl-1,2,4-triazol-4-ium-3-thiolate IUPAC Name: 1,4,5-triphenyl-1,2,4-triazol-4-ium-3-thiolate Traditional Name: 1,4,5-triphenyl-1,2,4-triazol-4-ium-3-thiolate Formula: C20H15N3S MolecularWeight: 332.398427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C(=NN2C3=CC=CC=C3)[S-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=[15N+](C(=[15N][15N]2C3=CC=CC=C3)[S-])C4=CC=CC=C4

InChI

InChI=1S/C20H15N3S/c24-20-21-23(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)22(20)17-12-6-2-7-13-17/h1-15H/i21+1,22+1,23+1