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

Systemtic Name: 4-[(Z)-(4-tert-butylphenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[(Z)-(4-tert-butylphenyl)methyleneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[(Z)-(4-tert-butylphenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(Z)-(4-tert-butylphenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[(Z)-(4-tert-butylbenzylidene)amino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Formula: C20H21N4OS- MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=NN2C(=NN=C2[S-])COC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=N\N2C(=NN=C2[S-])COC3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-20(2,3)16-11-9-15(10-12-16)13-21-24-18(22-23-19(24)26)14-25-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,23,26)/p-1/b21-13-