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

Systemtic Name: 4-[(Z)-(4-tert-butylphenyl)methylideneamino]-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[(Z)-(4-tert-butylphenyl)methyleneamino]-5-(3-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[(Z)-(4-tert-butylphenyl)methylideneamino]-5-(3-pyridinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(Z)-(4-tert-butylphenyl)methylideneamino]-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[(Z)-(4-tert-butylbenzylidene)amino]-5-(3-pyridyl)-1,2,4-triazole-3-thiolate Formula: C18H18N5S- MolecularWeight: 336.43402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=NN2C(=NN=C2[S-])C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=N\N2C(=NN=C2[S-])C3=CN=CC=C3

InChI

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