5-(4-tert-butylphenyl)-4-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-tert-butylphenyl)-4-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-tert-butylphenyl)-4-[(Z)-3-pyridylmethyleneamino]-1,2,4-triazole-3-thiolate CAS Name: 5-(4-tert-butylphenyl)-4-[(Z)-3-pyridinylmethylideneamino]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-tert-butylphenyl)-4-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-tert-butylphenyl)-4-[(Z)-3-pyridylmethyleneamino]-1,2,4-triazole-3-thiolate Formula: C18H18N5S- MolecularWeight: 336.43402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N=CC3=CN=CC=C3)[S-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2/N=C\C3=CN=CC=C3)[S-]

InChI

InChI=1S/C18H19N5S/c1-18(2,3)15-8-6-14(7-9-15)16-21-22-17(24)23(16)20-12-13-5-4-10-19-11-13/h4-12H,1-3H3,(H,22,24)/p-1/b20-12-