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

Systemtic Name: 2-[(Z)-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: 2-[(Z)-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 2-[(Z)-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate IUPAC Name: 2-[(Z)-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 2-[(Z)-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Formula: C13H13N4O2S- MolecularWeight: 289.33292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1N=CC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCCC1=NNC(=S)N1/N=C\C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C13H14N4O2S/c1-2-5-11-15-16-13(20)17(11)14-8-9-6-3-4-7-10(9)12(18)19/h3-4,6-8H,2,5H2,1H3,(H,16,20)(H,18,19)/p-1/b14-8-