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

Systemtic Name: 4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: 4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate IUPAC Name: 4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Formula: C12H11N4O2S- MolecularWeight: 275.30634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCC1=NNC(=S)N1/N=C\C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C12H12N4O2S/c1-2-10-14-15-12(19)16(10)13-7-8-3-5-9(6-4-8)11(17)18/h3-7H,2H2,1H3,(H,15,19)(H,17,18)/p-1/b13-7-