5-phenyl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-phenyl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-phenyl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate CAS Name: 5-phenyl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-phenyl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-phenyl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate Formula: C17H13N6S- MolecularWeight: 333.39032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)CN4C=NC=N4)[S-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)CN4C=NC=N4)[S-]

InChI

InChI=1S/C17H14N6S/c24-17-21-20-16(14-4-2-1-3-5-14)23(17)15-8-6-13(7-9-15)10-22-12-18-11-19-22/h1-9,11-12H,10H2,(H,21,24)/p-1