2-(2,5-diphenyl-1,2,4-triazol-3-yl)benzenethiolate

Systemtic Name: 2-(2,5-diphenyl-1,2,4-triazol-3-yl)benzenethiolate Openeye Name: 2-(2,5-diphenyl-1,2,4-triazol-3-yl)benzenethiolate CAS Name: 2-(2,5-diphenyl-1,2,4-triazol-3-yl)benzenethiolate IUPAC Name: 2-(2,5-diphenyl-1,2,4-triazol-3-yl)benzenethiolate Traditional Name: 2-(2,5-diphenyl-1,2,4-triazol-3-yl)benzenethiolate Formula: C20H14N3S- MolecularWeight: 328.41026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=CC=C3[S-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=CC=C3[S-])C4=CC=CC=C4

InChI

InChI=1S/C20H15N3S/c24-18-14-8-7-13-17(18)20-21-19(15-9-3-1-4-10-15)22-23(20)16-11-5-2-6-12-16/h1-14,24H/p-1