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

Systemtic Name: 5-quinolin-2-yl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(2-quinolyl)-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate CAS Name: 5-(2-quinolinyl)-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-quinolin-2-yl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-(2-quinolyl)-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-triazole-3-thiolate Formula: C20H14N7S- MolecularWeight: 384.43706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3=NN=C(N3C4=CC=C(C=C4)CN5C=NC=N5)[S-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=NN=C(N3C4=CC=C(C=C4)CN5C=NC=N5)[S-]

InChI

InChI=1S/C20H15N7S/c28-20-25-24-19(18-10-7-15-3-1-2-4-17(15)23-18)27(20)16-8-5-14(6-9-16)11-26-13-21-12-22-26/h1-10,12-13H,11H2,(H,25,28)/p-1