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

Systemtic Name: 4-[(Z)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: 4-[(Z)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 4-[(Z)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate IUPAC Name: 4-[(Z)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 4-[(Z)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Formula: C11H9N4O2S- MolecularWeight: 261.27976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1N=CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=NNC(=S)N1/N=C\C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C11H10N4O2S/c1-7-13-14-11(18)15(7)12-6-8-2-4-9(5-3-8)10(16)17/h2-6H,1H3,(H,14,18)(H,16,17)/p-1/b12-6-