4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate

Systemtic Name: 4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: 4-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate IUPAC Name: 4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 4-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Formula: C14H15N4O2S- MolecularWeight: 303.3595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=S)N1N=CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NNC(=S)N1/N=C\C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H16N4O2S/c1-14(2,3)12-16-17-13(21)18(12)15-8-9-4-6-10(7-5-9)11(19)20/h4-8H,1-3H3,(H,17,21)(H,19,20)/p-1/b15-8-